[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol

C13H15NO2 — CID 79145888

IUPAC[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCC(C)c1ccc(-c2ocnc2CO)cc1
InChIInChI=1S/C13H15NO2/c1-9(2)10-3-5-11(6-4-10)13-12(7-15)14-8-16-13/h3-6,8-9,15H,7H2,1-2H3
InChIKeyUTCXBPFXXULNMP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.96
Rot. Bonds3

About [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol

[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79145888) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
PubChem CID79145888
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCC(C)c1ccc(-c2ocnc2CO)cc1
InChIInChI=1S/C13H15NO2/c1-9(2)10-3-5-11(6-4-10)13-12(7-15)14-8-16-13/h3-6,8-9,15H,7H2,1-2H3
InChIKeyUTCXBPFXXULNMP-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol (CID 79145888) is [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol is CC(C)c1ccc(-c2ocnc2CO)cc1.
What is the InChIKey of [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is UTCXBPFXXULNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)10-3-5-11(6-4-10)13-12(7-15)14-8-16-13/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol?
[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79145888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).