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

C15H21N3O3 — CID 50974704

IUPAC5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCC2(C)CC(C)=NO2)c1C
InChIInChI=1S/C15H21N3O3/c1-8-6-15(5,21-18-8)7-16-14(20)12-9(2)13(11(4)19)17-10(12)3/h17H,6-7H2,1-5H3,(H,16,20)
InChIKeyGHXRSFNCMJWJJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.12
Rot. Bonds4

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

5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 50974704) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID50974704
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCC2(C)CC(C)=NO2)c1C
InChIInChI=1S/C15H21N3O3/c1-8-6-15(5,21-18-8)7-16-14(20)12-9(2)13(11(4)19)17-10(12)3/h17H,6-7H2,1-5H3,(H,16,20)
InChIKeyGHXRSFNCMJWJJP-UHFFFAOYSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
CID 53017138
3,5-dimethyl-4-[(1-methylcyclopropyl)methylcarbamoyl]-1H-pyrrole-2-carboxylic acid
CID 114101644
2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
CID 95052080
5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95125429
5-acetyl-2,4-dimethyl-N-[(4-phenyloxan-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 118767842
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052038
5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 90651281
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95135631
5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 91789541
5-acetyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50957533
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91792727

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 50974704) is 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCC2(C)CC(C)=NO2)c1C.
What is the InChIKey of 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is GHXRSFNCMJWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-8-6-15(5,21-18-8)7-16-14(20)12-9(2)13(11(4)19)17-10(12)3/h17H,6-7H2,1-5H3,(H,16,20).
What are the key properties of 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 50974704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).