3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide

C19H21ClN4O4 — CID 86935328

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H21ClN4O4/c1-11-16(17(23-28-11)12-6-3-4-7-13(12)20)19(27)22-10-15(25)24-9-5-8-14(24)18(26)21-2/h3-4,6-7,14H,5,8-10H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyCHULHBXUXHPBKN-UHFFFAOYSA-N
MW404.85 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide (PubChem CID 86935328) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide
PubChem CID86935328
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H21ClN4O4/c1-11-16(17(23-28-11)12-6-3-4-7-13(12)20)19(27)22-10-15(25)24-9-5-8-14(24)18(26)21-2/h3-4,6-7,14H,5,8-10H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyCHULHBXUXHPBKN-UHFFFAOYSA-N
XLogP1.77
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 10096671
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366284
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534236
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(2-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 111539535
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336683
3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 16896214
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide (CID 86935328) is 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CHULHBXUXHPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-11-16(17(23-28-11)12-6-3-4-7-13(12)20)19(27)22-10-15(25)24-9-5-8-14(24)18(26)21-2/h3-4,6-7,14H,5,8-10H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86935328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).