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

C21H14ClN3O2 — CID 1300425

IUPAC2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-18-9-5-4-8-17(18)19(26)23-16-12-10-15(11-13-16)21-25-24-20(27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26)
InChIKeyWBYRHHSGTGEDGI-UHFFFAOYSA-N
MW375.82 g/mol
LogP5.31
Rot. Bonds4

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

2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 1300425) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID1300425
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-18-9-5-4-8-17(18)19(26)23-16-12-10-15(11-13-16)21-25-24-20(27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26)
InChIKeyWBYRHHSGTGEDGI-UHFFFAOYSA-N
XLogP5.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.82
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 1300425) is 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is WBYRHHSGTGEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-18-9-5-4-8-17(18)19(26)23-16-12-10-15(11-13-16)21-25-24-20(27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26).
What are the key properties of 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 375.82 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).