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

C15H12F3NO3 — CID 67032249

IUPAC2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(C3CC3)cc2C(F)(F)F)no1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)12-5-9(8-1-2-8)3-4-11(12)13-6-10(22-19-13)7-14(20)21/h3-6,8H,1-2,7H2,(H,20,21)
InChIKeyANMBGUHZXMOZPN-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.86
Rot. Bonds4

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

2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid (PubChem CID 67032249) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid
PubChem CID67032249
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(C3CC3)cc2C(F)(F)F)no1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)12-5-9(8-1-2-8)3-4-11(12)13-6-10(22-19-13)7-14(20)21/h3-6,8H,1-2,7H2,(H,20,21)
InChIKeyANMBGUHZXMOZPN-UHFFFAOYSA-N
XLogP3.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid (CID 67032249) is 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid is O=C(O)Cc1cc(-c2ccc(C3CC3)cc2C(F)(F)F)no1.
What is the InChIKey of 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid?
The InChIKey is ANMBGUHZXMOZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)12-5-9(8-1-2-8)3-4-11(12)13-6-10(22-19-13)7-14(20)21/h3-6,8H,1-2,7H2,(H,20,21).
What are the key properties of 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid?
2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 67032249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).