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

C18H14F3N5O2 — CID 42637206

IUPAC[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)27-12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-28-17/h1-8H,9-10,22H2
InChIKeySAEGRDNWMKHMDI-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.49
Rot. Bonds5

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

[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637206) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637206
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)27-12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-28-17/h1-8H,9-10,22H2
InChIKeySAEGRDNWMKHMDI-UHFFFAOYSA-N
XLogP3.49
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 53239561
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 67154268
3-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 89767213
1-[2-[3-[[3-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenoxy]ethyl]piperidin-4-ol
CID 141467461
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
tert-butyl N-[[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637000
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355

Frequently Asked Questions

What is the IUPAC name of [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637206) is [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)n1.
What is the InChIKey of [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is SAEGRDNWMKHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c19-18(20,21)27-12-5-3-4-11(8-12)10-26-14-7-2-1-6-13(14)16(24-26)17-23-15(9-22)25-28-17/h1-8H,9-10,22H2.
What are the key properties of [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 389.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).