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

C11H17N5O — CID 65196341

IUPAC2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H17N5O/c1-4-7(2)9(12)11-14-10(15-17-11)8-5-13-16(3)6-8/h5-7,9H,4,12H2,1-3H3
InChIKeyYTUVIXZMWMRMSI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.52
Rot. Bonds4

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

2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 65196341) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID65196341
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H17N5O/c1-4-7(2)9(12)11-14-10(15-17-11)8-5-13-16(3)6-8/h5-7,9H,4,12H2,1-3H3
InChIKeyYTUVIXZMWMRMSI-UHFFFAOYSA-N
XLogP1.52
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 65196341) is 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(C)C(N)c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is YTUVIXZMWMRMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-7(2)9(12)11-14-10(15-17-11)8-5-13-16(3)6-8/h5-7,9H,4,12H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 65196341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).