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

C14H12N2O2 — CID 15154870

IUPAC3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccncc1
InChIInChI=1S/C14H12N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-6,8-9H,7,10H2
InChIKeyXDPIJQXWRKOUBP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.23
Rot. Bonds3

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

3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 15154870) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one
PubChem CID15154870
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccncc1
InChIInChI=1S/C14H12N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-6,8-9H,7,10H2
InChIKeyXDPIJQXWRKOUBP-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one (CID 15154870) is 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCc1ccncc1.
What is the InChIKey of 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is XDPIJQXWRKOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-6,8-9H,7,10H2.
What are the key properties of 3-(2-pyridin-4-ylethyl)-1,3-benzoxazol-2-one?
3-(2-pyridin-4-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-4-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 15154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).