N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide

C15H13N3O2 — CID 4893362

IUPACN-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2nonc12
InChIInChI=1S/C15H13N3O2/c19-14(10-9-11-5-2-1-3-6-11)16-12-7-4-8-13-15(12)18-20-17-13/h1-8H,9-10H2,(H,16,19)
InChIKeyWGSHTIZJRDODBF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide

N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide (PubChem CID 4893362) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide
PubChem CID4893362
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2nonc12
InChIInChI=1S/C15H13N3O2/c19-14(10-9-11-5-2-1-3-6-11)16-12-7-4-8-13-15(12)18-20-17-13/h1-8H,9-10H2,(H,16,19)
InChIKeyWGSHTIZJRDODBF-UHFFFAOYSA-N
XLogP2.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide (CID 4893362) is N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc2nonc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide?
The InChIKey is WGSHTIZJRDODBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(10-9-11-5-2-1-3-6-11)16-12-7-4-8-13-15(12)18-20-17-13/h1-8H,9-10H2,(H,16,19).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide?
N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide has a molecular weight of 267.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 4893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).