3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole

C12H14ClNO — CID 164523796

IUPAC3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole
SMILESCC1(C)CON=C1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClNO/c1-12(2)8-15-14-11(12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyOSKQBYLNHVOHLE-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.29
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole

3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole (PubChem CID 164523796) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole
PubChem CID164523796
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole
SMILESCC1(C)CON=C1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClNO/c1-12(2)8-15-14-11(12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyOSKQBYLNHVOHLE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole 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

2-(2-chlorophenyl)-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanone
CID 162342905
1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene
CID 65174913
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
CID 175057356
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 65465196
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 103783466
3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 55091065
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952168
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole (CID 164523796) is 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole is CC1(C)CON=C1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole?
The InChIKey is OSKQBYLNHVOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-12(2)8-15-14-11(12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole?
3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole has a molecular weight of 223.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole is sourced from PubChem (CID 164523796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).