(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol

C11H11NO2 — CID 2776519

IUPAC(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
SMILESCc1noc(-c2ccccc2)c1CO
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyKVWBXAICROMJFG-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.14
Rot. Bonds2

About (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol

(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol (PubChem CID 2776519) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
PubChem CID2776519
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
SMILESCc1noc(-c2ccccc2)c1CO
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyKVWBXAICROMJFG-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 (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol?
The IUPAC name of (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol (CID 2776519) is (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol is Cc1noc(-c2ccccc2)c1CO.
What is the InChIKey of (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol?
The InChIKey is KVWBXAICROMJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3.
What are the key properties of (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol?
(3-methyl-5-phenyl-1,2-oxazol-4-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 (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 2776519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).