N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C16H25N5O — CID 46982691

IUPACN-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESC=CCn1cc(CN(C)Cc2nc(CC(C)C)no2)c(C)n1
InChIInChI=1S/C16H25N5O/c1-6-7-21-10-14(13(4)18-21)9-20(5)11-16-17-15(19-22-16)8-12(2)3/h6,10,12H,1,7-9,11H2,2-5H3
InChIKeyNGTDENRRZPOZQU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.59
Rot. Bonds8

About N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 46982691) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID46982691
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESC=CCn1cc(CN(C)Cc2nc(CC(C)C)no2)c(C)n1
InChIInChI=1S/C16H25N5O/c1-6-7-21-10-14(13(4)18-21)9-20(5)11-16-17-15(19-22-16)8-12(2)3/h6,10,12H,1,7-9,11H2,2-5H3
InChIKeyNGTDENRRZPOZQU-UHFFFAOYSA-N
XLogP2.59
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 46982691) is N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is C=CCn1cc(CN(C)Cc2nc(CC(C)C)no2)c(C)n1.
What is the InChIKey of N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is NGTDENRRZPOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-6-7-21-10-14(13(4)18-21)9-20(5)11-16-17-15(19-22-16)8-12(2)3/h6,10,12H,1,7-9,11H2,2-5H3.
What are the key properties of N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 46982691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).