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

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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).