1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol

C12H13NO2 — CID 115087082

IUPAC1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
SMILESCc1cccc(-c2ncc(C(C)O)o2)c1
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyKIACGWAGLITAGR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.70
Rot. Bonds2

About 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol

1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol (PubChem CID 115087082) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
PubChem CID115087082
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
SMILESCc1cccc(-c2ncc(C(C)O)o2)c1
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyKIACGWAGLITAGR-UHFFFAOYSA-N
XLogP2.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol (CID 115087082) is 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol is Cc1cccc(-c2ncc(C(C)O)o2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol?
The InChIKey is KIACGWAGLITAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol?
1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol has a molecular weight of 203.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115087082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).