2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile

C11H10N2O — CID 84770011

IUPAC2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile
SMILESN#CCc1ccccc1C1=NCCO1
InChIInChI=1S/C11H10N2O/c12-6-5-9-3-1-2-4-10(9)11-13-7-8-14-11/h1-4H,5,7-8H2
InChIKeyWUSCBRUALQBOFC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.53
Rot. Bonds2

About 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile

2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile (PubChem CID 84770011) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile
PubChem CID84770011
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile
SMILESN#CCc1ccccc1C1=NCCO1
InChIInChI=1S/C11H10N2O/c12-6-5-9-3-1-2-4-10(9)11-13-7-8-14-11/h1-4H,5,7-8H2
InChIKeyWUSCBRUALQBOFC-UHFFFAOYSA-N
XLogP1.53
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile (CID 84770011) is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile is N#CCc1ccccc1C1=NCCO1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile?
The InChIKey is WUSCBRUALQBOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-6-5-9-3-1-2-4-10(9)11-13-7-8-14-11/h1-4H,5,7-8H2.
What are the key properties of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile?
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile is sourced from PubChem (CID 84770011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).