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

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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).