4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane

C123H252N14OS — CID 159032432

IUPAC4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C11H17N.3C10H16N2.C10H17N.2C9H16N2.C9H15NO.C9H15NS.18C2H6/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;2*1-6(2)8-9(7(3)4)11-5-10-8;18*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;18*1-2H3
InChIKeyJVAVYMBGKIGITE-UHFFFAOYSA-N
MW1975.53 g/mol
LogP44.86
Rot. Bonds18

About 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane

4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane (PubChem CID 159032432) has the molecular formula C123H252N14OS and a molecular weight of 1975.53 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
PubChem CID159032432
Molecular FormulaC123H252N14OS
Molecular Weight1975.53 g/mol
Exact Mass1973.98
IUPAC Name4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C11H17N.3C10H16N2.C10H17N.2C9H16N2.C9H15NO.C9H15NS.18C2H6/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;2*1-6(2)8-9(7(3)4)11-5-10-8;18*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;18*1-2H3
InChIKeyJVAVYMBGKIGITE-UHFFFAOYSA-N
XLogP44.86
TPSA202.30 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.53
LogP ≤ 544.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
5-methyl-1H-imidazole;4-methylisoquinoline;5-methylisoquinoline;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);4-methylquinoline;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157174574
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
CID 157175764
bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157401578
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane?
The IUPAC name of 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane (CID 159032432) is 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane.
What is the SMILES notation for 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane?
The canonical SMILES for 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane?
The InChIKey is JVAVYMBGKIGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.3C10H16N2.C10H17N.2C9H16N2.C9H15NO.C9H15NS.18C2H6/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;2*1-6(2)8-9(7(3)4)11-5-10-8;18*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;18*1-2H3.
What are the key properties of 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane?
4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane has a molecular weight of 1975.53 g/mol, XLogP of 44.86, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane is sourced from PubChem (CID 159032432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).