5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole

C14H17NO2 — CID 166023711

IUPAC5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1c(-c2cc(C)no2)cccc1C(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13/h5-9H,1-4H3
InChIKeyAJJMXQUIAIQBGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.78
Rot. Bonds3

About 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole

5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole (PubChem CID 166023711) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole
PubChem CID166023711
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1c(-c2cc(C)no2)cccc1C(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13/h5-9H,1-4H3
InChIKeyAJJMXQUIAIQBGO-UHFFFAOYSA-N
XLogP3.78
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
CID 126500100
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
CID 22729011
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
CID 140993965

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole (CID 166023711) is 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole is COc1c(-c2cc(C)no2)cccc1C(C)C.
What is the InChIKey of 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is AJJMXQUIAIQBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13/h5-9H,1-4H3.
What are the key properties of 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole?
5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 231.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 166023711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).