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

C11H13NO2 — CID 11344513

IUPAC(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1(CO)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-11(8-13)7-10(12-14-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3
InChIKeyBECAEFJGIOAKCY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.56
Rot. Bonds2

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

(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol (PubChem CID 11344513) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol
PubChem CID11344513
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1(CO)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-11(8-13)7-10(12-14-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3
InChIKeyBECAEFJGIOAKCY-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol (CID 11344513) is (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol is CC1(CO)CC(c2ccccc2)=NO1.
What is the InChIKey of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol?
The InChIKey is BECAEFJGIOAKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(8-13)7-10(12-14-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3.
What are the key properties of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol?
(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 11344513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).