6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one

C22H18N2O4 — CID 15154886

IUPAC6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCc2ccccn2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-8-5-15(6-9-18)21(25)16-7-10-19-20(14-16)28-22(26)24(19)13-11-17-4-2-3-12-23-17/h2-10,12,14H,11,13H2,1H3
InChIKeyQHMYFMFNDJXBNG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.47
Rot. Bonds6

About 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one

6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 15154886) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
PubChem CID15154886
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCc2ccccn2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-8-5-15(6-9-18)21(25)16-7-10-19-20(14-16)28-22(26)24(19)13-11-17-4-2-3-12-23-17/h2-10,12,14H,11,13H2,1H3
InChIKeyQHMYFMFNDJXBNG-UHFFFAOYSA-N
XLogP3.47
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (CID 15154886) is 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is COc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCc2ccccn2)cc1.
What is the InChIKey of 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is QHMYFMFNDJXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-18-8-5-15(6-9-18)21(25)16-7-10-19-20(14-16)28-22(26)24(19)13-11-17-4-2-3-12-23-17/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 374.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 15154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).