2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine

C86H133F3N20O5S3 — CID 158051335

IUPAC2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine
SMILESCC(C)c1cc(C(=O)N2CCOCC2)n(C)n1.CC(C)c1cc(C2COC2)[nH]n1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C12H19N3O2.C10H14N2.C9H14N2O.C8H9F3N2.C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.C6H10N2S/c1-9(2)10-8-11(14(3)13-10)12(16)15-4-6-17-7-5-15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-6(2)8-3-9(11-10-8)7-4-12-5-7;1-5(2)6-3-4-7(13-12-6)8(9,10)11;1-6(2)7-4-9(3)5-8-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-8-7-5(3)9-6/h8-9H,4-7H2,1-3H3;5-8H,3-4H2,1-2H3;3,6-7H,4-5H2,1-2H3,(H,10,11);3-5H,1-2H3;4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3
InChIKeyFJNFZWKZUMBBOX-UHFFFAOYSA-N
MW1680.34 g/mol
LogP21.57
Rot. Bonds14

About 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine

2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine (PubChem CID 158051335) has the molecular formula C86H133F3N20O5S3 and a molecular weight of 1680.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine
PubChem CID158051335
Molecular FormulaC86H133F3N20O5S3
Molecular Weight1680.34 g/mol
Exact Mass1678.99
IUPAC Name2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine
SMILESCC(C)c1cc(C(=O)N2CCOCC2)n(C)n1.CC(C)c1cc(C2COC2)[nH]n1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C12H19N3O2.C10H14N2.C9H14N2O.C8H9F3N2.C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.C6H10N2S/c1-9(2)10-8-11(14(3)13-10)12(16)15-4-6-17-7-5-15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-6(2)8-3-9(11-10-8)7-4-12-5-7;1-5(2)6-3-4-7(13-12-6)8(9,10)11;1-6(2)7-4-9(3)5-8-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-8-7-5(3)9-6/h8-9H,4-7H2,1-3H3;5-8H,3-4H2,1-2H3;3,6-7H,4-5H2,1-2H3,(H,10,11);3-5H,1-2H3;4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3
InChIKeyFJNFZWKZUMBBOX-UHFFFAOYSA-N
XLogP21.57
TPSA288.98 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001680.34
LogP ≤ 521.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine with MolForge

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Related Compounds

2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 157582125
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-(1-hydroxyazetidin-3-yl)-2-propan-2-ylpyridine;5-(1-methylazetidin-3-yl)-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 158817306
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 159352187
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;morpholin-4-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 159625484
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;6-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 161770744
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 161873891
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 162242401
1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)tetrazole;1-methyl-4-(2-methylpropyl)triazole;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,2-oxazole;5-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,2-thiazole;5-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1H-1,2,4-triazole
CID 157283492
2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;bis(3-tert-butyl-1,2-oxazole);bis(4-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157308770
5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157422271
1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)tetrazole;1-methyl-4-(2-methylpropyl)triazole;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,2-oxazole;5-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,2-thiazole;5-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1H-1,2,4-triazole
CID 158693009
CID 158772833
CID 158772833

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine (CID 158051335) is 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine is CC(C)c1cc(C(=O)N2CCOCC2)n(C)n1.CC(C)c1cc(C2COC2)[nH]n1.CC(C)c1ccc(C(F)(F)F)nn1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)s1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine?
The InChIKey is FJNFZWKZUMBBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C10H14N2.C9H14N2O.C8H9F3N2.C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.C6H10N2S/c1-9(2)10-8-11(14(3)13-10)12(16)15-4-6-17-7-5-15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-6(2)8-3-9(11-10-8)7-4-12-5-7;1-5(2)6-3-4-7(13-12-6)8(9,10)11;1-6(2)7-4-9(3)5-8-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-8-7-5(3)9-6/h8-9H,4-7H2,1-3H3;5-8H,3-4H2,1-2H3;3,6-7H,4-5H2,1-2H3,(H,10,11);3-5H,1-2H3;4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3.
What are the key properties of 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine?
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine has a molecular weight of 1680.34 g/mol, XLogP of 21.57, 14 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-yl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 158051335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).