1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol

C13H15NO2 — CID 115087326

IUPAC1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)o2)cc1
InChIInChI=1S/C13H15NO2/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeySTNYCHDXVLXFAS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol

1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115087326) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115087326
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)o2)cc1
InChIInChI=1S/C13H15NO2/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeySTNYCHDXVLXFAS-UHFFFAOYSA-N
XLogP2.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol (CID 115087326) is 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol is Cc1ccc(-c2ncc(CC(C)O)o2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is STNYCHDXVLXFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol?
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115087326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).