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

C16H12ClN3O3 — CID 3623511

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-4-2-3-11(9-13)14(21)18-16-20-19-15(23-16)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,18,20,21)
InChIKeyRVJZAUSQEPAAAE-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide (PubChem CID 3623511) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
PubChem CID3623511
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-4-2-3-11(9-13)14(21)18-16-20-19-15(23-16)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,18,20,21)
InChIKeyRVJZAUSQEPAAAE-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide 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

4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128171
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 805087
5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 3314184
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 3483535
4-acetyl-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4456705

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide (CID 3623511) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide?
The InChIKey is RVJZAUSQEPAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-22-13-4-2-3-11(9-13)14(21)18-16-20-19-15(23-16)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 3623511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).