N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

C26H20ClN3O3 — CID 46532816

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C26H20ClN3O3/c27-21-15-18(12-13-22(21)30-14-6-11-24(30)31)29-25(32)19-9-4-5-10-20(19)26-28-16-23(33-26)17-7-2-1-3-8-17/h1-5,7-10,12-13,15-16H,6,11,14H2,(H,29,32)
InChIKeyFDEHLNZOASVVRZ-UHFFFAOYSA-N
MW457.92 g/mol
LogP6.04
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 46532816) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID46532816
Molecular FormulaC26H20ClN3O3
Molecular Weight457.92 g/mol
Exact Mass457.12
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C26H20ClN3O3/c27-21-15-18(12-13-22(21)30-14-6-11-24(30)31)29-25(32)19-9-4-5-10-20(19)26-28-16-23(33-26)17-7-2-1-3-8-17/h1-5,7-10,12-13,15-16H,6,11,14H2,(H,29,32)
InChIKeyFDEHLNZOASVVRZ-UHFFFAOYSA-N
XLogP6.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 9456205
2-chloro-N-methyl-5-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]benzamide
CID 55836034
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 46531626
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
5-bromo-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-hydroxybenzamide
CID 25495530
1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24625383
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 24659708
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 46532816) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is FDEHLNZOASVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c27-21-15-18(12-13-22(21)30-14-6-11-24(30)31)29-25(32)19-9-4-5-10-20(19)26-28-16-23(33-26)17-7-2-1-3-8-17/h1-5,7-10,12-13,15-16H,6,11,14H2,(H,29,32).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 457.92 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 46532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).