1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile

C14H12N2O — CID 66662076

IUPAC1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCc1nocc1-c1ccc(C2(C#N)CC2)cc1
InChIInChI=1S/C14H12N2O/c1-10-13(8-17-16-10)11-2-4-12(5-3-11)14(9-15)6-7-14/h2-5,8H,6-7H2,1H3
InChIKeyMUJIWWXORMNLOP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.21
Rot. Bonds2

About 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile

1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 66662076) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile
PubChem CID66662076
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCc1nocc1-c1ccc(C2(C#N)CC2)cc1
InChIInChI=1S/C14H12N2O/c1-10-13(8-17-16-10)11-2-4-12(5-3-11)14(9-15)6-7-14/h2-5,8H,6-7H2,1H3
InChIKeyMUJIWWXORMNLOP-UHFFFAOYSA-N
XLogP3.21
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile (CID 66662076) is 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile is Cc1nocc1-c1ccc(C2(C#N)CC2)cc1.
What is the InChIKey of 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is MUJIWWXORMNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-13(8-17-16-10)11-2-4-12(5-3-11)14(9-15)6-7-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile?
1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 66662076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).