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

C15H14ClN3O3 — CID 75438784

IUPACN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2ccon2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-19-13(20)8-12(17-15(21)11-6-7-22-18-11)14(19)9-2-4-10(16)5-3-9/h2-7,12,14H,8H2,1H3,(H,17,21)
InChIKeyVCMHCFCUJATMAA-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.03
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 75438784) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID75438784
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2ccon2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-19-13(20)8-12(17-15(21)11-6-7-22-18-11)14(19)9-2-4-10(16)5-3-9/h2-7,12,14H,8H2,1H3,(H,17,21)
InChIKeyVCMHCFCUJATMAA-UHFFFAOYSA-N
XLogP2.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 75438784) is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CN1C(=O)CC(NC(=O)c2ccon2)C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VCMHCFCUJATMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-19-13(20)8-12(17-15(21)11-6-7-22-18-11)14(19)9-2-4-10(16)5-3-9/h2-7,12,14H,8H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75438784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).