N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C12H19N5O — CID 65198229

IUPACN-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(-c2ccn(C)n2)no1)NC
InChIInChI=1S/C12H19N5O/c1-4-5-9(13-2)8-11-14-12(16-18-11)10-6-7-17(3)15-10/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyUPZIRPFMTRHDOS-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.40
Rot. Bonds6

About N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65198229) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65198229
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(-c2ccn(C)n2)no1)NC
InChIInChI=1S/C12H19N5O/c1-4-5-9(13-2)8-11-14-12(16-18-11)10-6-7-17(3)15-10/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyUPZIRPFMTRHDOS-UHFFFAOYSA-N
XLogP1.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65198178
3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65197705
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65198230
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 65196500
(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916138
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 106850061
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107924504

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65198229) is N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(Cc1nc(-c2ccn(C)n2)no1)NC.
What is the InChIKey of N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is UPZIRPFMTRHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-5-9(13-2)8-11-14-12(16-18-11)10-6-7-17(3)15-10/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65198229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).