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

C18H17N5O — CID 42637355

IUPAC[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1
InChIInChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)21-23(17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2
InChIKeyPFTDNSUXTCAVTH-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.79
Rot. Bonds5

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

[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637355) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637355
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1
InChIInChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)21-23(17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2
InChIKeyPFTDNSUXTCAVTH-UHFFFAOYSA-N
XLogP2.79
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.79
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
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
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-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637355) is [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1.
What is the InChIKey of [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is PFTDNSUXTCAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)21-23(17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2.
What are the key properties of [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 319.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).