6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one

C21H16N2O3 — CID 15154880

IUPAC6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CCc1ccccn1
InChIInChI=1S/C21H16N2O3/c24-20(15-6-2-1-3-7-15)16-9-10-18-19(14-16)26-21(25)23(18)13-11-17-8-4-5-12-22-17/h1-10,12,14H,11,13H2
InChIKeySCWUUJJRMAUKOP-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.46
Rot. Bonds5

About 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one

6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 15154880) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
PubChem CID15154880
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CCc1ccccn1
InChIInChI=1S/C21H16N2O3/c24-20(15-6-2-1-3-7-15)16-9-10-18-19(14-16)26-21(25)23(18)13-11-17-8-4-5-12-22-17/h1-10,12,14H,11,13H2
InChIKeySCWUUJJRMAUKOP-UHFFFAOYSA-N
XLogP3.46
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (CID 15154880) is 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is O=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CCc1ccccn1.
What is the InChIKey of 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is SCWUUJJRMAUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-20(15-6-2-1-3-7-15)16-9-10-18-19(14-16)26-21(25)23(18)13-11-17-8-4-5-12-22-17/h1-10,12,14H,11,13H2.
What are the key properties of 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 15154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).