N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

C23H14ClN3O2 — CID 9456205

IUPACN-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C23H14ClN3O2/c24-20-12-17(11-10-16(20)13-25)27-22(28)18-8-4-5-9-19(18)23-26-14-21(29-23)15-6-2-1-3-7-15/h1-12,14H,(H,27,28)
InChIKeySVONTQJCXMJMEU-UHFFFAOYSA-N
MW399.84 g/mol
LogP5.79
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 9456205) has the molecular formula C23H14ClN3O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID9456205
Molecular FormulaC23H14ClN3O2
Molecular Weight399.84 g/mol
Exact Mass399.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C23H14ClN3O2/c24-20-12-17(11-10-16(20)13-25)27-22(28)18-8-4-5-9-19(18)23-26-14-21(29-23)15-6-2-1-3-7-15/h1-12,14H,(H,27,28)
InChIKeySVONTQJCXMJMEU-UHFFFAOYSA-N
XLogP5.79
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46532816
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
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-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676064
S-[4-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533280
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 9456205) is N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is N#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is SVONTQJCXMJMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O2/c24-20-12-17(11-10-16(20)13-25)27-22(28)18-8-4-5-9-19(18)23-26-14-21(29-23)15-6-2-1-3-7-15/h1-12,14H,(H,27,28).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 399.84 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 9456205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).