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

C14H19N3O — CID 11149259

IUPAC2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
SMILESCc1nc(-c2cccc(CNCC(C)C)c2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)8-15-9-12-5-4-6-13(7-12)14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGBQTZKKUBQAHBT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.79
Rot. Bonds5

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

2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine (PubChem CID 11149259) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
PubChem CID11149259
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
SMILESCc1nc(-c2cccc(CNCC(C)C)c2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)8-15-9-12-5-4-6-13(7-12)14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGBQTZKKUBQAHBT-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine (CID 11149259) is 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine is Cc1nc(-c2cccc(CNCC(C)C)c2)no1.
What is the InChIKey of 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine?
The InChIKey is GBQTZKKUBQAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)8-15-9-12-5-4-6-13(7-12)14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 11149259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).