1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole

C54H94N10O — CID 167616573

IUPAC1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnn(C(C)C)c1.Cc1cnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C10H17N.3C9H16N2.C7H11NO/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-8-4-6(3)9-7/h6-8H,1-5H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);4-5H,1-3H3
InChIKeyLVEMUXFWNRHCKH-UHFFFAOYSA-N
MW899.41 g/mol
LogP15.63
Rot. Bonds11

About 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole

1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole (PubChem CID 167616573) has the molecular formula C54H94N10O and a molecular weight of 899.41 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole
PubChem CID167616573
Molecular FormulaC54H94N10O
Molecular Weight899.41 g/mol
Exact Mass898.76
IUPAC Name1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnn(C(C)C)c1.Cc1cnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C10H17N.3C9H16N2.C7H11NO/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-8-4-6(3)9-7/h6-8H,1-5H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);4-5H,1-3H3
InChIKeyLVEMUXFWNRHCKH-UHFFFAOYSA-N
XLogP15.63
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.41
LogP ≤ 515.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole with MolForge

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Related Compounds

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 157098537
2-ethynyl-1-methyl-4-propan-2-ylimidazole;3-ethynyl-1-methyl-4-propan-2-ylpyrazole;3-ethynyl-1-methyl-5-propan-2-ylpyrazole;2-ethynyl-1-propan-2-ylimidazole;3-ethynyl-1-propan-2-ylpyrazole;5-ethynyl-4-propan-2-yl-1H-pyrazole;2-ethynyl-4-propan-2-yl-3H-pyrrole;5-ethynyl-3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3,4-oxadiazole-2-carbonitrile
CID 157242521
2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
CID 157462376
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,5-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-3H-pyrrole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157799171
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 158079348
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158360371
1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158811694
1-(fluoromethyl)-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
CID 158838231
2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
CID 158884399
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 159643197
1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
CID 159742584
1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
CID 159746868

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole (CID 167616573) is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole is CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnn(C(C)C)c1.Cc1cnc(C(C)C)o1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is LVEMUXFWNRHCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C10H17N.3C9H16N2.C7H11NO/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-8-4-6(3)9-7/h6-8H,1-5H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);4-5H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole?
1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 899.41 g/mol, XLogP of 15.63, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole;5-methyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 167616573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).