1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C15H14ClN3O3 — CID 3160094

IUPAC1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C15H14ClN3O3/c1-9-5-13(18-22-9)17-15(21)10-6-14(20)19(8-10)12-4-2-3-11(16)7-12/h2-5,7,10H,6,8H2,1H3,(H,17,18,21)
InChIKeyAECZCWUBZAYVQX-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3160094) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3160094
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C15H14ClN3O3/c1-9-5-13(18-22-9)17-15(21)10-6-14(20)19(8-10)12-4-2-3-11(16)7-12/h2-5,7,10H,6,8H2,1H3,(H,17,18,21)
InChIKeyAECZCWUBZAYVQX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 3160094) is 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)no1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AECZCWUBZAYVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-5-13(18-22-9)17-15(21)10-6-14(20)19(8-10)12-4-2-3-11(16)7-12/h2-5,7,10H,6,8H2,1H3,(H,17,18,21).
What are the key properties of 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3160094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).