2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid

C12H8F3NO3 — CID 82488263

IUPAC2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)noc1-c1ccccc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)11-8(6-9(17)18)10(19-16-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,17,18)
InChIKeyBVKMFZKSZUXLED-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.99
Rot. Bonds3

About 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid

2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid (PubChem CID 82488263) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid
PubChem CID82488263
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)noc1-c1ccccc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)11-8(6-9(17)18)10(19-16-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,17,18)
InChIKeyBVKMFZKSZUXLED-UHFFFAOYSA-N
XLogP2.99
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-4-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 67455256
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
2-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]acetic acid
CID 174656161
methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid
CID 70358375
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
CID 14049736
2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide
CID 14835400
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
2-(2,6-diphenylphenyl)acetic acid
CID 69422987

Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid (CID 82488263) is 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid is O=C(O)Cc1c(C(F)(F)F)noc1-c1ccccc1.
What is the InChIKey of 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid?
The InChIKey is BVKMFZKSZUXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)11-8(6-9(17)18)10(19-16-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,17,18).
What are the key properties of 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid?
2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid has a molecular weight of 271.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82488263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).