5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole

C16H14FNO — CID 67419220

IUPAC5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FNO/c1-12-11-16(19-18-12,13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3
InChIKeyYTMMKLYJCVPLPZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.87
Rot. Bonds2

About 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole

5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole (PubChem CID 67419220) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole
PubChem CID67419220
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FNO/c1-12-11-16(19-18-12,13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3
InChIKeyYTMMKLYJCVPLPZ-UHFFFAOYSA-N
XLogP3.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole (CID 67419220) is 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole is CC1=NOC(c2ccccc2)(c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole?
The InChIKey is YTMMKLYJCVPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-12-11-16(19-18-12,13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole?
5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 67419220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).