5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide

C16H18N4O3 — CID 119300719

IUPAC5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H18N4O3/c1-10-13(9-18-23-10)15(21)19-11-4-6-12(7-5-11)20-16(22)14-3-2-8-17-14/h4-7,9,14,17H,2-3,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFWAXAZNCXSXMTD-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.93
Rot. Bonds4

About 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 119300719) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID119300719
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H18N4O3/c1-10-13(9-18-23-10)15(21)19-11-4-6-12(7-5-11)20-16(22)14-3-2-8-17-14/h4-7,9,14,17H,2-3,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFWAXAZNCXSXMTD-UHFFFAOYSA-N
XLogP1.93
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide (CID 119300719) is 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FWAXAZNCXSXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-13(9-18-23-10)15(21)19-11-4-6-12(7-5-11)20-16(22)14-3-2-8-17-14/h4-7,9,14,17H,2-3,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119300719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).