2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile

C16H12N2O3 — CID 43243776

IUPAC2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H12N2O3/c17-11-12-5-1-3-7-14(12)20-10-9-18-13-6-2-4-8-15(13)21-16(18)19/h1-8H,9-10H2
InChIKeyWMSVNWNCWOTGBA-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.55
Rot. Bonds4

About 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile

2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile (PubChem CID 43243776) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile
PubChem CID43243776
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H12N2O3/c17-11-12-5-1-3-7-14(12)20-10-9-18-13-6-2-4-8-15(13)21-16(18)19/h1-8H,9-10H2
InChIKeyWMSVNWNCWOTGBA-UHFFFAOYSA-N
XLogP2.55
TPSA68.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile (CID 43243776) is 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCCn1c(=O)oc2ccccc21.
What is the InChIKey of 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile?
The InChIKey is WMSVNWNCWOTGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-11-12-5-1-3-7-14(12)20-10-9-18-13-6-2-4-8-15(13)21-16(18)19/h1-8H,9-10H2.
What are the key properties of 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile?
2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile has a molecular weight of 280.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 43243776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).