1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C17H28N6O — CID 71928248

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2c(C)noc2C)C1
InChIInChI=1S/C17H28N6O/c1-6-23-14(4)18-19-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)20-24-13(16)3/h15H,6-11H2,1-5H3
InChIKeyMEXVGCSNANEKIE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.92
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928248) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928248
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2c(C)noc2C)C1
InChIInChI=1S/C17H28N6O/c1-6-23-14(4)18-19-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)20-24-13(16)3/h15H,6-11H2,1-5H3
InChIKeyMEXVGCSNANEKIE-UHFFFAOYSA-N
XLogP1.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928248) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(Cc2c(C)noc2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is MEXVGCSNANEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-6-23-14(4)18-19-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)20-24-13(16)3/h15H,6-11H2,1-5H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 332.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).