3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole

C11H13NO — CID 164668359

IUPAC3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc(C)c1C1=NOCC1
InChIInChI=1S/C11H13NO/c1-8-4-3-5-9(2)11(8)10-6-7-13-12-10/h3-5H,6-7H2,1-2H3
InChIKeyKPTQQLLPJPAHDG-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.43
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole

3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 164668359) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID164668359
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc(C)c1C1=NOCC1
InChIInChI=1S/C11H13NO/c1-8-4-3-5-9(2)11(8)10-6-7-13-12-10/h3-5H,6-7H2,1-2H3
InChIKeyKPTQQLLPJPAHDG-UHFFFAOYSA-N
XLogP2.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197529
5-(Fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102340041
5-(Fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 154714052
5-(Fluoromethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 154714385
Isoxazole, 4,5-dihydro-3-phenyl-
CID 840162
3-Phenyl-5-methylisoxazoline
CID 12228204
5-Isopropyl-3-phenyl-4,5-dihydroisoxazole
CID 86056955
5,5-dimethyl-3-phenyl-4H-1,2-oxazole
CID 101843022
4-(Difluoromethylidene)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 13582992
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
5-Butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 135041813
5-(Fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 154713777

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 164668359) is 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cccc(C)c1C1=NOCC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is KPTQQLLPJPAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-3-5-9(2)11(8)10-6-7-13-12-10/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 164668359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).