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

C15H10ClN3O2 — CID 4997529

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C15H10ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,17,19,20)
InChIKeyIBTZRRWPPTVDBZ-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.64
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4997529) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4997529
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C15H10ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,17,19,20)
InChIKeyIBTZRRWPPTVDBZ-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 N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4997529) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IBTZRRWPPTVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,17,19,20).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-(4-chlorophenyl)-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 N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4997529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).