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

C16H12ClN3O3 — CID 11078012

IUPAC4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15(21)18-16-20-19-14(23-16)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyCVFNEQIPHQCYLY-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.55
Rot. Bonds5

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

4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 11078012) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID11078012
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15(21)18-16-20-19-14(23-16)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyCVFNEQIPHQCYLY-UHFFFAOYSA-N
XLogP3.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 52904168
N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 52904179
4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 11393935
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 52904190
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 10860844
N-(4-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 58533794
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 44921919
5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 11078012) is 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(COc2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is CVFNEQIPHQCYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15(21)18-16-20-19-14(23-16)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21).
What are the key properties of 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 329.74 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 11078012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).