2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile

C14H15ClN2O — CID 163473882

IUPAC2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile
SMILESCC1OC(c2ccc(Cl)cc2)=NC1C(C)(C)C#N
InChIInChI=1S/C14H15ClN2O/c1-9-12(14(2,3)8-16)17-13(18-9)10-4-6-11(15)7-5-10/h4-7,9,12H,1-3H3
InChIKeyBYUOBKCASMCOEJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.42
Rot. Bonds2

About 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile

2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile (PubChem CID 163473882) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile
PubChem CID163473882
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile
SMILESCC1OC(c2ccc(Cl)cc2)=NC1C(C)(C)C#N
InChIInChI=1S/C14H15ClN2O/c1-9-12(14(2,3)8-16)17-13(18-9)10-4-6-11(15)7-5-10/h4-7,9,12H,1-3H3
InChIKeyBYUOBKCASMCOEJ-UHFFFAOYSA-N
XLogP3.42
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

CID 244027
CID 244027
CID 639989
CID 639989
CID 44394744
CID 44394744
CID 44394821
CID 44394821
CID 12793307
CID 12793307
CID 164676643
CID 164676643
CID 11984388
CID 11984388
CID 21804841
CID 21804841
CID 146470219
CID 146470219
CID 145996312
CID 145996312
CID 11310371
CID 11310371
CID 12034714
CID 12034714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile (CID 163473882) is 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile is CC1OC(c2ccc(Cl)cc2)=NC1C(C)(C)C#N.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile?
The InChIKey is BYUOBKCASMCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-12(14(2,3)8-16)17-13(18-9)10-4-6-11(15)7-5-10/h4-7,9,12H,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile?
2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile has a molecular weight of 262.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-2-methylpropanenitrile is sourced from PubChem (CID 163473882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).