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

C18H14F3N5O — CID 42637207

IUPAC[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-27-17/h1-8H,9-10,22H2
InChIKeyFCMKZIPWKVDJCO-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.61
Rot. Bonds4

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

[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637207) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637207
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-27-17/h1-8H,9-10,22H2
InChIKeyFCMKZIPWKVDJCO-UHFFFAOYSA-N
XLogP3.61
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637207) is [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1.
What is the InChIKey of [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is FCMKZIPWKVDJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-27-17/h1-8H,9-10,22H2.
What are the key properties of [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 373.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).