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

C22H16ClN3O3 — CID 2799994

IUPAC4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H16ClN3O3/c1-28-17-6-4-5-15(13-17)21-25-26-22(29-21)18-7-2-3-8-19(18)24-20(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,24,27)
InChIKeyWDFQOPCFZFHTIJ-UHFFFAOYSA-N
MW405.84 g/mol
LogP5.32
Rot. Bonds5

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

4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 2799994) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID2799994
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H16ClN3O3/c1-28-17-6-4-5-15(13-17)21-25-26-22(29-21)18-7-2-3-8-19(18)24-20(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,24,27)
InChIKeyWDFQOPCFZFHTIJ-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-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 3338695
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55542467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 2799994) is 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is WDFQOPCFZFHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-28-17-6-4-5-15(13-17)21-25-26-22(29-21)18-7-2-3-8-19(18)24-20(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,24,27).
What are the key properties of 4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
4-chloro-N-[2-[5-(3-methoxyphenyl)-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-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 2799994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).