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

C11H12ClNO — CID 639989

IUPAC2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyXCQDCQKNZXMXGM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.90
Rot. Bonds1

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

2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 639989) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID639989
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyXCQDCQKNZXMXGM-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 639989) is 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XCQDCQKNZXMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 209.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 639989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).