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

C14H12N2O2 — CID 15154869

IUPAC3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14-16(10-8-11-5-3-4-9-15-11)12-6-1-2-7-13(12)18-14/h1-7,9H,8,10H2
InChIKeyBHRHLWXBJGECMU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.23
Rot. Bonds3

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

3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 15154869) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
PubChem CID15154869
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14-16(10-8-11-5-3-4-9-15-11)12-6-1-2-7-13(12)18-14/h1-7,9H,8,10H2
InChIKeyBHRHLWXBJGECMU-UHFFFAOYSA-N
XLogP2.23
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-carbamic acid 5-ethyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 9796284
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-
CID 3072495
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-(4-phenyl-1-piperazinyl)propyl)-
CID 3072496
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(4-(4-phenyl-1-piperazinyl)butyl)-
CID 3072499
3-Pyridyl N-phenylcarbamate
CID 252525
3-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 1946056
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid phenyl ester
CID 44403559
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-
CID 3074813
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-(4-(4-fluorophenyl)-1-piperazinyl)-2-methylpropyl)-
CID 3074814
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(4-(4-(4-fluorophenyl)-1-piperazinyl)butyl)-
CID 3074815
Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(5-(4-(4-fluorophenyl)-1-piperazinyl)pentyl)-
CID 3074816

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one (CID 15154869) is 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is BHRHLWXBJGECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-16(10-8-11-5-3-4-9-15-11)12-6-1-2-7-13(12)18-14/h1-7,9H,8,10H2.
What are the key properties of 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one?
3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 15154869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).