3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

C11H10N2O2 — CID 42647376

IUPAC3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCOc1ccc(C2=NOC(C#N)C2)cc1
InChIInChI=1S/C11H10N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6H2,1H3
InChIKeyOFDJXHCEZKNLKF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.71
Rot. Bonds2

About 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile (PubChem CID 42647376) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
PubChem CID42647376
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCOc1ccc(C2=NOC(C#N)C2)cc1
InChIInChI=1S/C11H10N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6H2,1H3
InChIKeyOFDJXHCEZKNLKF-UHFFFAOYSA-N
XLogP1.71
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile (CID 42647376) is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile is COc1ccc(C2=NOC(C#N)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The InChIKey is OFDJXHCEZKNLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile has a molecular weight of 202.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 42647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).