2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one

C16H12N2O4 — CID 70681699

IUPAC2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccccc2on1CCn1oc2ccccc2c1=O
InChIInChI=1S/C16H12N2O4/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
InChIKeyCACZGDPMDFZGJF-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one

2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one (PubChem CID 70681699) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one
PubChem CID70681699
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccccc2on1CCn1oc2ccccc2c1=O
InChIInChI=1S/C16H12N2O4/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
InChIKeyCACZGDPMDFZGJF-UHFFFAOYSA-N
XLogP2.20
TPSA70.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one?
The IUPAC name of 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one (CID 70681699) is 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one?
The canonical SMILES for 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one is O=c1c2ccccc2on1CCn1oc2ccccc2c1=O.
What is the InChIKey of 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one?
The InChIKey is CACZGDPMDFZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2.
What are the key properties of 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one?
2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one has a molecular weight of 296.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-oxo-1,2-benzoxazol-2-yl)ethyl]-1,2-benzoxazol-3-one is sourced from PubChem (CID 70681699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).