5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol

C16H15NO2 — CID 10777254

IUPAC5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3
InChIKeyLOFHVOCXHGAVHL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.91
Rot. Bonds2

About 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol

5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol (PubChem CID 10777254) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol
PubChem CID10777254
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3
InChIKeyLOFHVOCXHGAVHL-UHFFFAOYSA-N
XLogP2.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol (CID 10777254) is 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol is CC1(O)ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol?
The InChIKey is LOFHVOCXHGAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3.
What are the key properties of 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol?
5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol has a molecular weight of 253.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10777254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).