2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole

C18H12N2O2 — CID 134811633

IUPAC2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1coc(-c2ccc(-c3ccc(-c4ncco4)cc3)cc2)n1
InChIInChI=1S/C18H12N2O2/c1-5-15(17-19-9-11-21-17)6-2-13(1)14-3-7-16(8-4-14)18-20-10-12-22-18/h1-12H
InChIKeyIROAFTWYNGYOEJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.66
Rot. Bonds3

About 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole

2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole (PubChem CID 134811633) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole
PubChem CID134811633
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1coc(-c2ccc(-c3ccc(-c4ncco4)cc3)cc2)n1
InChIInChI=1S/C18H12N2O2/c1-5-15(17-19-9-11-21-17)6-2-13(1)14-3-7-16(8-4-14)18-20-10-12-22-18/h1-12H
InChIKeyIROAFTWYNGYOEJ-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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Related Compounds

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
2,5-Bis(4-biphenylyl)oxazole
CID 95231
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
4-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]pyridine
CID 616745
2-Phenyl-1,3-oxazole
CID 589280
3-(4-Phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one
CID 24799489
Methyl 6-(2-(3-(4'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)propanoyl)oxazol-5-yl)pyridine-2-carboxylate
CID 24801218
(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 60148788
4-(5-Phenyl-1,3-oxazol-2-yl)benzamide
CID 747239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole (CID 134811633) is 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole is c1coc(-c2ccc(-c3ccc(-c4ncco4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The InChIKey is IROAFTWYNGYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-5-15(17-19-9-11-21-17)6-2-13(1)14-3-7-16(8-4-14)18-20-10-12-22-18/h1-12H.
What are the key properties of 2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole?
2-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-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-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 134811633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).