4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H14ClNO — CID 142401536

IUPAC4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NC(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H14ClNO/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyKLFFODFFMDLGQT-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.47
Rot. Bonds2

About 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 142401536) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID142401536
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NC(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H14ClNO/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyKLFFODFFMDLGQT-UHFFFAOYSA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole 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 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 142401536) is 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1=NC(c2ccc(Cl)cc2)CO1.
What is the InChIKey of 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is KLFFODFFMDLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 223.70 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).