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

C20H21N5O4 — CID 42637132

IUPAC[5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-26-15-8-12(9-16(27-2)19(15)28-3)11-25-14-7-5-4-6-13(14)18(23-25)20-22-17(10-21)24-29-20/h4-9H,10-11,21H2,1-3H3
InChIKeyHSPREQRCDYYFIB-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.62
Rot. Bonds7

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

[5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637132) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637132
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name[5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-26-15-8-12(9-16(27-2)19(15)28-3)11-25-14-7-5-4-6-13(14)18(23-25)20-22-17(10-21)24-29-20/h4-9H,10-11,21H2,1-3H3
InChIKeyHSPREQRCDYYFIB-UHFFFAOYSA-N
XLogP2.62
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
5-(3-isopropyl-1H-pyrazol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16025881
tert-butyl N-[[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637000
Tert-butyl(5-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637431
N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide
CID 53236169
5-(3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16025916
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16025936
[5-[1-(1,3-Benzodioxol-5-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637129
tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637279
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
tert-butyl N-[[5-[2-(1,3-benzodioxol-5-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42638061
3-(3-{4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]phenoxy}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
CID 91905415

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637132) is [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is COc1cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is HSPREQRCDYYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-26-15-8-12(9-16(27-2)19(15)28-3)11-25-14-7-5-4-6-13(14)18(23-25)20-22-17(10-21)24-29-20/h4-9H,10-11,21H2,1-3H3.
What are the key properties of [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 395.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(3,4,5-trimethoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).