3-(2-phenylethyl)-1,3-benzoxazol-2-one

C15H13NO2 — CID 651817

IUPAC3-(2-phenylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9H,10-11H2
InChIKeyNUKWDYNMQFPRIJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.84
Rot. Bonds3

About 3-(2-phenylethyl)-1,3-benzoxazol-2-one

3-(2-phenylethyl)-1,3-benzoxazol-2-one (PubChem CID 651817) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,3-benzoxazol-2-one
PubChem CID651817
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(2-phenylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9H,10-11H2
InChIKeyNUKWDYNMQFPRIJ-UHFFFAOYSA-N
XLogP2.84
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-phenylethyl)-1,3-benzoxazol-2-one (CID 651817) is 3-(2-phenylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-phenylethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1,3-benzoxazol-2-one?
The InChIKey is NUKWDYNMQFPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9H,10-11H2.
What are the key properties of 3-(2-phenylethyl)-1,3-benzoxazol-2-one?
3-(2-phenylethyl)-1,3-benzoxazol-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 651817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).