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

C14H11NO2 — CID 10632949

IUPAC6-benzyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(Cc3ccccc3)cc2o1
InChIInChI=1S/C14H11NO2/c16-14-15-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKeySJUCTTNCWAPOTO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds2

About 6-benzyl-3H-1,3-benzoxazol-2-one

6-benzyl-3H-1,3-benzoxazol-2-one (PubChem CID 10632949) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-benzyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzyl-3H-1,3-benzoxazol-2-one
PubChem CID10632949
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-benzyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(Cc3ccccc3)cc2o1
InChIInChI=1S/C14H11NO2/c16-14-15-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKeySJUCTTNCWAPOTO-UHFFFAOYSA-N
XLogP2.71
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzyl-3H-1,3-benzoxazol-2-one (CID 10632949) is 6-benzyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzyl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(Cc3ccccc3)cc2o1.
What is the InChIKey of 6-benzyl-3H-1,3-benzoxazol-2-one?
The InChIKey is SJUCTTNCWAPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-15-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16).
What are the key properties of 6-benzyl-3H-1,3-benzoxazol-2-one?
6-benzyl-3H-1,3-benzoxazol-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).