N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H16ClN3O4 — CID 113192601

IUPACN-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-9-5-14(19-24-9)20-8-10(6-15(20)21)16(22)18-11-3-4-13(23-2)12(17)7-11/h3-5,7,10H,6,8H2,1-2H3,(H,18,22)
InChIKeyMQDFPUGEJNJYNX-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.64
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192601) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192601
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-9-5-14(19-24-9)20-8-10(6-15(20)21)16(22)18-11-3-4-13(23-2)12(17)7-11/h3-5,7,10H,6,8H2,1-2H3,(H,18,22)
InChIKeyMQDFPUGEJNJYNX-UHFFFAOYSA-N
XLogP2.64
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192652
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192666
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791219
1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188837
1-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192567
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
(3S)-1-(3-chloro-4-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42581384
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192601) is N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MQDFPUGEJNJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-9-5-14(19-24-9)20-8-10(6-15(20)21)16(22)18-11-3-4-13(23-2)12(17)7-11/h3-5,7,10H,6,8H2,1-2H3,(H,18,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).