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

C12H19N5O — CID 74247461

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCc1noc(CN(C)Cc2cncn2C(C)C)n1
InChIInChI=1S/C12H19N5O/c1-9(2)17-8-13-5-11(17)6-16(4)7-12-14-10(3)15-18-12/h5,8-9H,6-7H2,1-4H3
InChIKeyGINBGHDBKQVUOG-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.79
Rot. Bonds5

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

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 74247461) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID74247461
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCc1noc(CN(C)Cc2cncn2C(C)C)n1
InChIInChI=1S/C12H19N5O/c1-9(2)17-8-13-5-11(17)6-16(4)7-12-14-10(3)15-18-12/h5,8-9H,6-7H2,1-4H3
InChIKeyGINBGHDBKQVUOG-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine (CID 74247461) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine is Cc1noc(CN(C)Cc2cncn2C(C)C)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is GINBGHDBKQVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)17-8-13-5-11(17)6-16(4)7-12-14-10(3)15-18-12/h5,8-9H,6-7H2,1-4H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 74247461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).