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

C16H12ClN3O2 — CID 110319667

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C16H12ClN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyINDJFZSUHACFHT-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.32
Rot. Bonds4

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319667) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319667
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C16H12ClN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyINDJFZSUHACFHT-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92574158
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319667) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is INDJFZSUHACFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-13-9-5-4-8-12(13)16-20-19-14(22-16)10-18-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21).
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).