2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C12H14ClNO — CID 11356522

IUPAC2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(Cl)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H14ClNO/c1-8-6-9(13)4-5-10(8)11-14-12(2,3)7-15-11/h4-6H,7H2,1-3H3
InChIKeyJFUPJOGYWSLFTA-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11356522) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11356522
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(Cl)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H14ClNO/c1-8-6-9(13)4-5-10(8)11-14-12(2,3)7-15-11/h4-6H,7H2,1-3H3
InChIKeyJFUPJOGYWSLFTA-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 11356522) is 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(Cl)ccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JFUPJOGYWSLFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-6-9(13)4-5-10(8)11-14-12(2,3)7-15-11/h4-6H,7H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 223.70 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11356522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).