ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

C72H142N16O2 — CID 157159026

IUPACethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1C=CN=N1.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1
InChIInChI=1S/2C7H11N.3C6H10N2.2C6H9NO.2C5H9N3.9C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;9*1-2/h3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;4*3-5H,1-2H3;9*1-2H3
InChIKeyAMDPCSAIXWNJHI-UHFFFAOYSA-N
MW1264.04 g/mol
LogP23.68
Rot. Bonds9

About ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (PubChem CID 157159026) has the molecular formula C72H142N16O2 and a molecular weight of 1264.04 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
PubChem CID157159026
Molecular FormulaC72H142N16O2
Molecular Weight1264.04 g/mol
Exact Mass1263.15
IUPAC Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1C=CN=N1.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1
InChIInChI=1S/2C7H11N.3C6H10N2.2C6H9NO.2C5H9N3.9C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;9*1-2/h3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;4*3-5H,1-2H3;9*1-2H3
InChIKeyAMDPCSAIXWNJHI-UHFFFAOYSA-N
XLogP23.68
TPSA194.56 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.04
LogP ≤ 523.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
CID 159534240
3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
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4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole
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2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
CID 141212962
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane
CID 157106927
2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltriazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 157271473
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 157310136
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
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4-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;3-tert-butyl-5-methyl-1H-pyrazole
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5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
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1-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;1-tert-butyltetrazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-4H-triazole
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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (CID 157159026) is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1C=CN=N1.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The InChIKey is AMDPCSAIXWNJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.3C6H10N2.2C6H9NO.2C5H9N3.9C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;9*1-2/h3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;4*3-5H,1-2H3;9*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole has a molecular weight of 1264.04 g/mol, XLogP of 23.68, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is sourced from PubChem (CID 157159026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).