2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C16H23N3O2 — CID 86930292

IUPAC2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C16H23N3O2/c1-7-16(5,6)17-15(20)13-8-10(2)19(12(13)4)14-9-11(3)21-18-14/h8-9H,7H2,1-6H3,(H,17,20)
InChIKeyLWFHQLODVSOOEV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.31
Rot. Bonds4

About 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 86930292) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID86930292
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C16H23N3O2/c1-7-16(5,6)17-15(20)13-8-10(2)19(12(13)4)14-9-11(3)21-18-14/h8-9H,7H2,1-6H3,(H,17,20)
InChIKeyLWFHQLODVSOOEV-UHFFFAOYSA-N
XLogP3.31
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide with MolForge

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Related Compounds

2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-phenylbutanoic acid
CID 119201733
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78871532
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876617
prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 78832442
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
CID 32580386
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(1-phenylbutyl)pyrrole-3-carboxamide
CID 112811994
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-methylurea
CID 53498550
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 78863183
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 146085521
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 86930292) is 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is CCC(C)(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C.
What is the InChIKey of 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is LWFHQLODVSOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-7-16(5,6)17-15(20)13-8-10(2)19(12(13)4)14-9-11(3)21-18-14/h8-9H,7H2,1-6H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 86930292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).