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

C12H19N5O — CID 65197557

IUPACN-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2cnn(C)c2)no1)C(C)NC
InChIInChI=1S/C12H19N5O/c1-5-10(8(2)13-3)12-15-11(16-18-12)9-6-14-17(4)7-9/h6-8,10,13H,5H2,1-4H3
InChIKeyNZEREVAPXBLOAS-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.57
Rot. Bonds5

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

N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65197557) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65197557
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2cnn(C)c2)no1)C(C)NC
InChIInChI=1S/C12H19N5O/c1-5-10(8(2)13-3)12-15-11(16-18-12)9-6-14-17(4)7-9/h6-8,10,13H,5H2,1-4H3
InChIKeyNZEREVAPXBLOAS-UHFFFAOYSA-N
XLogP1.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
5-Cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53598745
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53599226
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 56779742
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
5-Cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780372
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780488
5-(2-Methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780502
5-Cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780527
3-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56780528
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 56818841

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65197557) is N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(-c2cnn(C)c2)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NZEREVAPXBLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-10(8(2)13-3)12-15-11(16-18-12)9-6-14-17(4)7-9/h6-8,10,13H,5H2,1-4H3.
What are the key properties of N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65197557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).