N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C16H14N2O2 — CID 24752289

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O2/c1-2-15(19)17-12-8-9-14-13(10-12)18-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,19)
InChIKeyLQUUASGPIJCYJS-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.84
Rot. Bonds3

About N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 24752289) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID24752289
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O2/c1-2-15(19)17-12-8-9-14-13(10-12)18-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,19)
InChIKeyLQUUASGPIJCYJS-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 24752289) is N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is CCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is LQUUASGPIJCYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-15(19)17-12-8-9-14-13(10-12)18-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 24752289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).