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

C11H13NO — CID 164668525

IUPAC3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C)c(C2=NOCC2)c1
InChIInChI=1S/C11H13NO/c1-8-3-4-9(2)10(7-8)11-5-6-13-12-11/h3-4,7H,5-6H2,1-2H3
InChIKeyYFFJLAZVYHOQRY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.43
Rot. Bonds1

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

3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 164668525) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID164668525
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C)c(C2=NOCC2)c1
InChIInChI=1S/C11H13NO/c1-8-3-4-9(2)10(7-8)11-5-6-13-12-11/h3-4,7H,5-6H2,1-2H3
InChIKeyYFFJLAZVYHOQRY-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

E-1-(2,4,6-trimethylphenyl)ethanone oxime
CID 12228534
3-p-tolyl-5,6-dihydro-4H-1,2-oxazine-6-carbonitrile
CID 25197527
3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197529
6-(chloromethyl)-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine
CID 25197530
3-indan-5-yl-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197532
[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
CID 25197669
5-(Fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 154714052
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 164668525) is 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C)c(C2=NOCC2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is YFFJLAZVYHOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-3-4-9(2)10(7-8)11-5-6-13-12-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
3-(2,5-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-(2,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 164668525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).