3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol

C17H17NO2 — CID 12028159

IUPAC3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(CCc2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H17NO2/c19-17(12-11-14-7-3-1-4-8-14)13-16(18-20-17)15-9-5-2-6-10-15/h1-10,19H,11-13H2
InChIKeyYDOURKYUIPIFKX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds4

About 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol

3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol (PubChem CID 12028159) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol
PubChem CID12028159
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(CCc2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H17NO2/c19-17(12-11-14-7-3-1-4-8-14)13-16(18-20-17)15-9-5-2-6-10-15/h1-10,19H,11-13H2
InChIKeyYDOURKYUIPIFKX-UHFFFAOYSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol (CID 12028159) is 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol is OC1(CCc2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is YDOURKYUIPIFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(12-11-14-7-3-1-4-8-14)13-16(18-20-17)15-9-5-2-6-10-15/h1-10,19H,11-13H2.
What are the key properties of 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol?
3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 267.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 12028159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).