5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C19H16F3N7O — CID 11611374

IUPAC5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H16F3N7O/c1-29-11-25-16(24-10-12-6-8-23-9-7-12)15(29)17-27-28-18(30-17)26-14-4-2-13(3-5-14)19(20,21)22/h2-9,11,24H,10H2,1H3,(H,26,28)
InChIKeyOJYUHOMVZDAJEB-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.24
Rot. Bonds6

About 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11611374) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID11611374
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H16F3N7O/c1-29-11-25-16(24-10-12-6-8-23-9-7-12)15(29)17-27-28-18(30-17)26-14-4-2-13(3-5-14)19(20,21)22/h2-9,11,24H,10H2,1H3,(H,26,28)
InChIKeyOJYUHOMVZDAJEB-UHFFFAOYSA-N
XLogP4.24
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 11611374) is 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OJYUHOMVZDAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c1-29-11-25-16(24-10-12-6-8-23-9-7-12)15(29)17-27-28-18(30-17)26-14-4-2-13(3-5-14)19(20,21)22/h2-9,11,24H,10H2,1H3,(H,26,28).
What are the key properties of 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 415.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11611374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).