2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

C20H17F4N3O2 — CID 150296380

IUPAC2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(c1cc(NC(=O)Cc2ccc(-c3cccnc3F)cc2)no1)C(F)(F)F
InChIInChI=1S/C20H17F4N3O2/c1-19(2,20(22,23)24)15-11-16(27-29-15)26-17(28)10-12-5-7-13(8-6-12)14-4-3-9-25-18(14)21/h3-9,11H,10H2,1-2H3,(H,26,27,28)
InChIKeyGIRAMTNZAFFEKF-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.90
Rot. Bonds5

About 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 150296380) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
PubChem CID150296380
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC Name2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(c1cc(NC(=O)Cc2ccc(-c3cccnc3F)cc2)no1)C(F)(F)F
InChIInChI=1S/C20H17F4N3O2/c1-19(2,20(22,23)24)15-11-16(27-29-15)26-17(28)10-12-5-7-13(8-6-12)14-4-3-9-25-18(14)21/h3-9,11H,10H2,1-2H3,(H,26,27,28)
InChIKeyGIRAMTNZAFFEKF-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide
CID 46861579
1-(5-Tert-butylisoxazol-3-yl)-3-(4-(pyridin-4-ylmethyl)phenyl)urea
CID 9950282
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)isonicotinamide
CID 10297307
4-(3-(5-tert-butylisoxazol-3-yl)ureido)-N-(pyridin-2-yl)benzamide
CID 46883423
4-(3-(5-tert-butylisoxazol-3-yl)ureido)-N-(pyridin-3-yl)benzamide
CID 46883460
4-(3-(5-tert-butylisoxazol-3-yl)ureido)-N-(pyridin-4-yl)benzamide
CID 46883461
US9725465, Example 18
CID 117926509
US9725465, Example 12
CID 117926814
US9725465, Example 11
CID 117927121
US9725465, Example 151
CID 117927215
(rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-isoxazol-3-yl-acetamide
CID 118024324
(rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-isoxazol-3-yl-acetamide
CID 118024653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 150296380) is 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is CC(C)(c1cc(NC(=O)Cc2ccc(-c3cccnc3F)cc2)no1)C(F)(F)F.
What is the InChIKey of 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is GIRAMTNZAFFEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c1-19(2,20(22,23)24)15-11-16(27-29-15)26-17(28)10-12-5-7-13(8-6-12)14-4-3-9-25-18(14)21/h3-9,11H,10H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 407.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 150296380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).