5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

C19H15F3N6O — CID 66554727

IUPAC5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C19H15F3N6O/c20-19(21,22)9-25-18-28-27-17(29-18)11-3-4-15-12(7-11)13(8-24-15)16-23-6-5-14(26-16)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,25,28)
InChIKeyYVAQXIXCFJWYDN-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.53
Rot. Bonds5

About 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 66554727) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID66554727
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C19H15F3N6O/c20-19(21,22)9-25-18-28-27-17(29-18)11-3-4-15-12(7-11)13(8-24-15)16-23-6-5-14(26-16)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,25,28)
InChIKeyYVAQXIXCFJWYDN-UHFFFAOYSA-N
XLogP4.53
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (CID 66554727) is 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is FC(F)(F)CNc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YVAQXIXCFJWYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c20-19(21,22)9-25-18-28-27-17(29-18)11-3-4-15-12(7-11)13(8-24-15)16-23-6-5-14(26-16)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,25,28).
What are the key properties of 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 400.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).