N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C12H19N5O — CID 56712179

IUPACN-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cncn2C)no1
InChIInChI=1S/C12H19N5O/c1-9(2)12-14-11(15-18-12)7-16(3)6-10-5-13-8-17(10)4/h5,8-9H,6-7H2,1-4H3
InChIKeyLWYYTOBQIIRNFO-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 56712179) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID56712179
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cncn2C)no1
InChIInChI=1S/C12H19N5O/c1-9(2)12-14-11(15-18-12)7-16(3)6-10-5-13-8-17(10)4/h5,8-9H,6-7H2,1-4H3
InChIKeyLWYYTOBQIIRNFO-UHFFFAOYSA-N
XLogP1.56
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-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-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 56712179) is N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2cncn2C)no1.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is LWYYTOBQIIRNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)12-14-11(15-18-12)7-16(3)6-10-5-13-8-17(10)4/h5,8-9H,6-7H2,1-4H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 56712179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).