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

C18H12N2O2 — CID 18965381

IUPAC2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ncco3)oc2-c2ccccc2)cc1
InChIInChI=1S/C18H12N2O2/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)22-18(20-15)17-19-11-12-21-17/h1-12H
InChIKeyLITRTOSYNHDODQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.66
Rot. Bonds3

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

2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole (PubChem CID 18965381) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole
PubChem CID18965381
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ncco3)oc2-c2ccccc2)cc1
InChIInChI=1S/C18H12N2O2/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)22-18(20-15)17-19-11-12-21-17/h1-12H
InChIKeyLITRTOSYNHDODQ-UHFFFAOYSA-N
XLogP4.66
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole (CID 18965381) is 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole is c1ccc(-c2nc(-c3ncco3)oc2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is LITRTOSYNHDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)22-18(20-15)17-19-11-12-21-17/h1-12H.
What are the key properties of 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole?
2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 288.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 18965381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).