(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C18H15F3N4O2 — CID 75467156

IUPAC(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11(2)22-14-5-3-4-10-25(14)16(26)13-8-6-12(7-9-13)15-23-17(27-24-15)18(19,20)21/h3-11H,1-2H3/b22-14+
InChIKeyHANDFGBPBUALQJ-HYARGMPZSA-N
MW376.34 g/mol
LogP3.55
Rot. Bonds3

About (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 75467156) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID75467156
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11(2)22-14-5-3-4-10-25(14)16(26)13-8-6-12(7-9-13)15-23-17(27-24-15)18(19,20)21/h3-11H,1-2H3/b22-14+
InChIKeyHANDFGBPBUALQJ-HYARGMPZSA-N
XLogP3.55
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone with MolForge

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Related Compounds

N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
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[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
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N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
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N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
(2R)-3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 75467156) is (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is CC(C)/N=c1\ccccn1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is HANDFGBPBUALQJ-HYARGMPZSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11(2)22-14-5-3-4-10-25(14)16(26)13-8-6-12(7-9-13)15-23-17(27-24-15)18(19,20)21/h3-11H,1-2H3/b22-14+.
What are the key properties of (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
(2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 376.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylimino-1-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 75467156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).