5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole

C13H15NO2 — CID 116868801

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2ccno2)cc1C(C)C
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-10(4-5-13(11)15-3)12-6-7-14-16-12/h4-9H,1-3H3
InChIKeyFHZXZCHWQJKBDX-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.47
Rot. Bonds3

About 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole

5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole (PubChem CID 116868801) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
PubChem CID116868801
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2ccno2)cc1C(C)C
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-10(4-5-13(11)15-3)12-6-7-14-16-12/h4-9H,1-3H3
InChIKeyFHZXZCHWQJKBDX-UHFFFAOYSA-N
XLogP3.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
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3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
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5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
5-(2,5-dimethoxyphenyl)-1,2-oxazole
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5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
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5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
CID 82078805
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole (CID 116868801) is 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole is COc1ccc(-c2ccno2)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole?
The InChIKey is FHZXZCHWQJKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)11-8-10(4-5-13(11)15-3)12-6-7-14-16-12/h4-9H,1-3H3.
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole?
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 116868801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).