1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C14H13N3O3 — CID 168697831

IUPAC1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H13N3O3/c15-14(19)10-5-13(18)17(7-10)11-3-1-9(2-4-11)12-6-16-8-20-12/h1-4,6,8,10H,5,7H2,(H2,15,19)
InChIKeyTZNIMZXBQNNQCJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.18
Rot. Bonds3

About 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697831) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697831
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H13N3O3/c15-14(19)10-5-13(18)17(7-10)11-3-1-9(2-4-11)12-6-16-8-20-12/h1-4,6,8,10H,5,7H2,(H2,15,19)
InChIKeyTZNIMZXBQNNQCJ-UHFFFAOYSA-N
XLogP1.18
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691764
1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692194
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 168703880
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168697831) is 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TZNIMZXBQNNQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-14(19)10-5-13(18)17(7-10)11-3-1-9(2-4-11)12-6-16-8-20-12/h1-4,6,8,10H,5,7H2,(H2,15,19).
What are the key properties of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).