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

C11H11NO2 — CID 23006256

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol
SMILESCc1ccc(-c2cc(CO)no2)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-6,13H,7H2,1H3
InChIKeyYPDITGIFBYDNAC-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.14
Rot. Bonds2

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

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 23006256) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol
PubChem CID23006256
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol
SMILESCc1ccc(-c2cc(CO)no2)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-6,13H,7H2,1H3
InChIKeyYPDITGIFBYDNAC-UHFFFAOYSA-N
XLogP2.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol (CID 23006256) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol is Cc1ccc(-c2cc(CO)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is YPDITGIFBYDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-6,13H,7H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 189.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 23006256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).