N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide

C22H17ClN4O3 — CID 95053024

IUPACN-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O[C@H]1c1ccccn1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)27-22(19-7-2-3-12-24-19)30-21(26-27)15-8-10-18(11-9-15)25-20(29)16-5-4-6-17(23)13-16/h2-13,22H,1H3,(H,25,29)/t22-/m0/s1
InChIKeyNCZTWBJQDGFOAQ-QFIPXVFZSA-N
MW420.86 g/mol
LogP4.23
Rot. Bonds4

About N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide

N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide (PubChem CID 95053024) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
PubChem CID95053024
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O[C@H]1c1ccccn1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)27-22(19-7-2-3-12-24-19)30-21(26-27)15-8-10-18(11-9-15)25-20(29)16-5-4-6-17(23)13-16/h2-13,22H,1H3,(H,25,29)/t22-/m0/s1
InChIKeyNCZTWBJQDGFOAQ-QFIPXVFZSA-N
XLogP4.23
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl)phenyl]-3-chlorobenzamide
CID 53019682
N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
CID 95053169
N-[3-[3-acetyl-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
CID 46352364
1-[5-(4-fluorophenyl)-2-pyridin-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576941
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 53020454
N-[4-[(2R)-3-acetyl-2-(2-hydroxy-3-prop-2-enylphenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
CID 95053061
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[3-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-bromobenzamide
CID 95053171
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-[3-[(2S)-3-acetyl-2-(2-hydroxy-3-prop-2-enylphenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
CID 95053062
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide (CID 95053024) is N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide is CC(=O)N1N=C(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O[C@H]1c1ccccn1.
What is the InChIKey of N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide?
The InChIKey is NCZTWBJQDGFOAQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-14(28)27-22(19-7-2-3-12-24-19)30-21(26-27)15-8-10-18(11-9-15)25-20(29)16-5-4-6-17(23)13-16/h2-13,22H,1H3,(H,25,29)/t22-/m0/s1.
What are the key properties of N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide?
N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide has a molecular weight of 420.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 95053024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).