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

C13H15NO2 — CID 59772468

IUPAC2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
SMILESCOc1ccc(C(C)C)c(-c2ncco2)c1
InChIInChI=1S/C13H15NO2/c1-9(2)11-5-4-10(15-3)8-12(11)13-14-6-7-16-13/h4-9H,1-3H3
InChIKeyGLFCQWPMVXZMFU-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.47
Rot. Bonds3

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

2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 59772468) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
PubChem CID59772468
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
SMILESCOc1ccc(C(C)C)c(-c2ncco2)c1
InChIInChI=1S/C13H15NO2/c1-9(2)11-5-4-10(15-3)8-12(11)13-14-6-7-16-13/h4-9H,1-3H3
InChIKeyGLFCQWPMVXZMFU-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole (CID 59772468) is 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole is COc1ccc(C(C)C)c(-c2ncco2)c1.
What is the InChIKey of 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is GLFCQWPMVXZMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)11-5-4-10(15-3)8-12(11)13-14-6-7-16-13/h4-9H,1-3H3.
What are the key properties of 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole?
2-(5-methoxy-2-propan-2-ylphenyl)-1,3-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 2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 59772468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).