1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol

C17H15NO3 — CID 18367429

IUPAC1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol
SMILESOCC(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H15NO3/c19-11-14(20)17-18-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10,14,19-20H,11H2
InChIKeyUXFHNQVNXIHOAB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds4

About 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol

1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol (PubChem CID 18367429) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol
PubChem CID18367429
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol
SMILESOCC(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H15NO3/c19-11-14(20)17-18-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10,14,19-20H,11H2
InChIKeyUXFHNQVNXIHOAB-UHFFFAOYSA-N
XLogP3.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol (CID 18367429) is 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol is OCC(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol?
The InChIKey is UXFHNQVNXIHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-11-14(20)17-18-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10,14,19-20H,11H2.
What are the key properties of 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol?
1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol has a molecular weight of 281.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 18367429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).