2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C15H12F4N2O2 — CID 141446522

IUPAC2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C15H12F4N2O2/c16-10-4-2-1-3-9(10)7-13(22)20-12-8-11(23-21-12)14(5-6-14)15(17,18)19/h1-4,8H,5-7H2,(H,20,21,22)
InChIKeyPKEIAXPGGJUWRY-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 141446522) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID141446522
Molecular FormulaC15H12F4N2O2
Molecular Weight328.26 g/mol
Exact Mass328.08
IUPAC Name2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C15H12F4N2O2/c16-10-4-2-1-3-9(10)7-13(22)20-12-8-11(23-21-12)14(5-6-14)15(17,18)19/h1-4,8H,5-7H2,(H,20,21,22)
InChIKeyPKEIAXPGGJUWRY-UHFFFAOYSA-N
XLogP3.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 157242466
[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid
CID 67984181
2-[2-fluoro-4-[2-[(3-methyltriazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504900
2-[2-fluoro-4-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 158447603
2-[2-fluoro-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126507801
2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504874
2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 137001513
2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 148534388
2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 160614969
2-[2-fluoro-4-[2-[(3-isocyano-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 161384740
2-[2-fluoro-4-[2-[(1-propylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 162140939
tert-butyl N-[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)carbamate
CID 126503335

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 141446522) is 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is O=C(Cc1ccccc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is PKEIAXPGGJUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c16-10-4-2-1-3-9(10)7-13(22)20-12-8-11(23-21-12)14(5-6-14)15(17,18)19/h1-4,8H,5-7H2,(H,20,21,22).
What are the key properties of 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 328.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 141446522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).