N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C20H17N3O3 — CID 122132406

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H17N3O3/c24-19-8-3-9-23(19)17-7-2-5-15(11-17)20(25)22-16-6-1-4-14(10-16)18-12-21-13-26-18/h1-2,4-7,10-13H,3,8-9H2,(H,22,25)
InChIKeyWAVBGMHJKRHPQA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.72
Rot. Bonds4

About N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 122132406) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID122132406
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H17N3O3/c24-19-8-3-9-23(19)17-7-2-5-15(11-17)20(25)22-16-6-1-4-14(10-16)18-12-21-13-26-18/h1-2,4-7,10-13H,3,8-9H2,(H,22,25)
InChIKeyWAVBGMHJKRHPQA-UHFFFAOYSA-N
XLogP3.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 122132406) is N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(-c2cnco2)c1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WAVBGMHJKRHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19-8-3-9-23(19)17-7-2-5-15(11-17)20(25)22-16-6-1-4-14(10-16)18-12-21-13-26-18/h1-2,4-7,10-13H,3,8-9H2,(H,22,25).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 347.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 122132406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).