N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C22H16ClN3O2 — CID 92711110

IUPACN-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)19(24-20(27)15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27)/t19-/m0/s1
InChIKeyXZUOCILPGURSEG-IBGZPJMESA-N
MW389.84 g/mol
LogP4.91
Rot. Bonds5

About N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 92711110) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID92711110
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)19(24-20(27)15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27)/t19-/m0/s1
InChIKeyXZUOCILPGURSEG-IBGZPJMESA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
CID 27017983
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 92711128
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 92711110) is N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is XZUOCILPGURSEG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)19(24-20(27)15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 389.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 92711110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).