3-benzyl-1,3-benzoxazol-2-one

C14H11NO2 — CID 720432

IUPAC3-benzyl-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11NO2/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyYLCGDHFJQQKIBG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 3-benzyl-1,3-benzoxazol-2-one

3-benzyl-1,3-benzoxazol-2-one (PubChem CID 720432) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-benzyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-benzyl-1,3-benzoxazol-2-one
PubChem CID720432
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-benzyl-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11NO2/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyYLCGDHFJQQKIBG-UHFFFAOYSA-N
XLogP2.64
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-benzyl-1,3-benzoxazol-2-one (CID 720432) is 3-benzyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-benzyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-benzyl-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3-benzoxazol-2-one?
The InChIKey is YLCGDHFJQQKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2.
What are the key properties of 3-benzyl-1,3-benzoxazol-2-one?
3-benzyl-1,3-benzoxazol-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 720432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).