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

C15H10ClN3O2 — CID 805087

IUPAC4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
InChIKeyYZLBFDGNVDNPIB-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.64
Rot. Bonds3

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

4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 805087) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID805087
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
InChIKeyYZLBFDGNVDNPIB-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 805087) is 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is YZLBFDGNVDNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20).
What are the key properties of 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 299.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 805087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).