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

C16H13F2NO — CID 67695503

IUPAC5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole
SMILESCC1(c2cccc(F)c2F)ONC=C1c1ccccc1
InChIInChI=1S/C16H13F2NO/c1-16(12-8-5-9-14(17)15(12)18)13(10-19-20-16)11-6-3-2-4-7-11/h2-10,19H,1H3
InChIKeySQTUFVCXQYDPCV-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.76
Rot. Bonds2

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

5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole (PubChem CID 67695503) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole
PubChem CID67695503
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole
SMILESCC1(c2cccc(F)c2F)ONC=C1c1ccccc1
InChIInChI=1S/C16H13F2NO/c1-16(12-8-5-9-14(17)15(12)18)13(10-19-20-16)11-6-3-2-4-7-11/h2-10,19H,1H3
InChIKeySQTUFVCXQYDPCV-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1,1-bis-(4-fluoro-phenyl)-ethanol
CID 12261116
3-Amino-1,1-bis(3-fluorophenyl)propan-1-ol
CID 20642702
5-(4-fluorophenyl)-3-methyl-5-phenyl-4H-1,2-oxazole
CID 67419220
2-Amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
4-(4-fluorophenyl)-1-methyl-3H-pyridin-3-ylium-4-olate
CID 88183702
5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90958648
5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole
CID 91000531
5-phenyl-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91059463
5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole
CID 91326028
5-(2,6-Difluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91388658
5-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91543041
2-Amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole?
The IUPAC name of 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole (CID 67695503) is 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole.
What is the SMILES notation for 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole?
The canonical SMILES for 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole is CC1(c2cccc(F)c2F)ONC=C1c1ccccc1.
What is the InChIKey of 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole?
The InChIKey is SQTUFVCXQYDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-16(12-8-5-9-14(17)15(12)18)13(10-19-20-16)11-6-3-2-4-7-11/h2-10,19H,1H3.
What are the key properties of 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole?
5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole has a molecular weight of 273.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole is sourced from PubChem (CID 67695503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).