N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide

C24H19N5O2 — CID 42637361

IUPACN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C24H19N5O2/c30-23(18-11-5-2-6-12-18)25-15-21-26-24(31-28-21)22-19-13-7-8-14-20(19)29(27-22)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,30)
InChIKeyPIDPPDMZZZHHJM-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.06
Rot. Bonds6

About N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide

N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 42637361) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID42637361
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C24H19N5O2/c30-23(18-11-5-2-6-12-18)25-15-21-26-24(31-28-21)22-19-13-7-8-14-20(19)29(27-22)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,30)
InChIKeyPIDPPDMZZZHHJM-UHFFFAOYSA-N
XLogP4.06
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
3-[3-tert-Butoxycarbonylaminomethyl-1,2,4-oxadiazol-5-yl]indazole
CID 42637980
[5-[2-(2-Thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 67154106
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
CID 67154121
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
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 N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 42637361) is N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1.
What is the InChIKey of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is PIDPPDMZZZHHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-23(18-11-5-2-6-12-18)25-15-21-26-24(31-28-21)22-19-13-7-8-14-20(19)29(27-22)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,30).
What are the key properties of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 409.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 42637361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).