5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C17H12F3N5O — CID 25109000

IUPAC5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-10(6-13)8-21-16-25-24-15(26-16)11-4-5-14-12(7-11)9-22-23-14/h1-7,9H,8H2,(H,21,25)(H,22,23)
InChIKeyKSCAELSBCLWHIO-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.24
Rot. Bonds4

About 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25109000) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25109000
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-10(6-13)8-21-16-25-24-15(26-16)11-4-5-14-12(7-11)9-22-23-14/h1-7,9H,8H2,(H,21,25)(H,22,23)
InChIKeyKSCAELSBCLWHIO-UHFFFAOYSA-N
XLogP4.24
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 25109000) is 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KSCAELSBCLWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-10(6-13)8-21-16-25-24-15(26-16)11-4-5-14-12(7-11)9-22-23-14/h1-7,9H,8H2,(H,21,25)(H,22,23).
What are the key properties of 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 359.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).