4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

C10H8F3NO — CID 154720158

IUPAC4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyKDTSMMBVJUYJQL-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.72
Rot. Bonds1

About 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 154720158) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID154720158
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyKDTSMMBVJUYJQL-UHFFFAOYSA-N
XLogP2.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-Rexamino
CID 11116360
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
AG-H-02521
CID 5325154
Rexamino
CID 10654553
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(2,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966116
(4S)-4-(2,3,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966460
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
(4S)-4-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966464
(4S)-4-(3,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966467

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 154720158) is 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)C1=NC(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KDTSMMBVJUYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154720158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).