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

C8H15N3O — CID 122609883

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1noc(C)n1
InChIInChI=1S/C8H15N3O/c1-4-5-11(3)6-8-9-7(2)12-10-8/h4-6H2,1-3H3
InChIKeyIWZDCJCXVVAICP-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine (PubChem CID 122609883) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
PubChem CID122609883
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1noc(C)n1
InChIInChI=1S/C8H15N3O/c1-4-5-11(3)6-8-9-7(2)12-10-8/h4-6H2,1-3H3
InChIKeyIWZDCJCXVVAICP-UHFFFAOYSA-N
XLogP1.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine (CID 122609883) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine is CCCN(C)Cc1noc(C)n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is IWZDCJCXVVAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-11(3)6-8-9-7(2)12-10-8/h4-6H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 122609883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).