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

C17H17NO2 — CID 15945698

IUPAC(2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol
SMILESCN1OC(c2ccccc2)=C(CO)C1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18-16(13-8-4-2-5-9-13)15(12-19)17(20-18)14-10-6-3-7-11-14/h2-11,16,19H,12H2,1H3
InChIKeyPBNSXSFKWZXGJI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds3

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

(2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol (PubChem CID 15945698) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol
PubChem CID15945698
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol
SMILESCN1OC(c2ccccc2)=C(CO)C1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18-16(13-8-4-2-5-9-13)15(12-19)17(20-18)14-10-6-3-7-11-14/h2-11,16,19H,12H2,1H3
InChIKeyPBNSXSFKWZXGJI-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol?
The IUPAC name of (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol (CID 15945698) is (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol is CN1OC(c2ccccc2)=C(CO)C1c1ccccc1.
What is the InChIKey of (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol?
The InChIKey is PBNSXSFKWZXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-16(13-8-4-2-5-9-13)15(12-19)17(20-18)14-10-6-3-7-11-14/h2-11,16,19H,12H2,1H3.
What are the key properties of (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol?
(2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 15945698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).