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

C22H16ClN3O3 — CID 170458785

IUPAC4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H16ClN3O3/c1-28-17-11-12-19(24-20(27)14-7-9-16(23)10-8-14)18(13-17)22-26-25-21(29-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)
InChIKeyRUPPQBFBZCKXPG-UHFFFAOYSA-N
MW405.84 g/mol
LogP5.32
Rot. Bonds5

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

4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 170458785) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID170458785
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H16ClN3O3/c1-28-17-11-12-19(24-20(27)14-7-9-16(23)10-8-14)18(13-17)22-26-25-21(29-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)
InChIKeyRUPPQBFBZCKXPG-UHFFFAOYSA-N
XLogP5.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 170458739
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
CID 170458823
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55542467
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 170458785) is 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Cl)cc2)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is RUPPQBFBZCKXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-28-17-11-12-19(24-20(27)14-7-9-16(23)10-8-14)18(13-17)22-26-25-21(29-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27).
What are the key properties of 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 405.84 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 170458785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).