N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C21H24N4O3 — CID 78876617

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-5-22-20(26)17-8-6-16(7-9-17)12-23-21(27)18-10-13(2)25(15(18)4)19-11-14(3)28-24-19/h6-11H,5,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyAARXJFCIEOTDNL-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.07
Rot. Bonds6

About N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 78876617) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID78876617
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-5-22-20(26)17-8-6-16(7-9-17)12-23-21(27)18-10-13(2)25(15(18)4)19-11-14(3)28-24-19/h6-11H,5,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyAARXJFCIEOTDNL-UHFFFAOYSA-N
XLogP3.07
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86930292
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78858319
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
CID 32580386
N-[2-(2,6-dimethylphenoxy)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876067
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
CID 30091933
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 40590557
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrole-3-carboxamide
CID 112829749
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78870882
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78861355

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 78876617) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is CCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is AARXJFCIEOTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-22-20(26)17-8-6-16(7-9-17)12-23-21(27)18-10-13(2)25(15(18)4)19-11-14(3)28-24-19/h6-11H,5,12H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78876617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).