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

C18H28N6O — CID 71928276

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CCC(N(C)Cc2nnc(C3CC3)n2C)C1
InChIInChI=1S/C18H28N6O/c1-12-16(13(2)25-21-12)10-24-8-7-15(9-24)22(3)11-17-19-20-18(23(17)4)14-5-6-14/h14-15H,5-11H2,1-4H3
InChIKeyJFEDBWXNWWNAJB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.00
Rot. Bonds6

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

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928276) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928276
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CCC(N(C)Cc2nnc(C3CC3)n2C)C1
InChIInChI=1S/C18H28N6O/c1-12-16(13(2)25-21-12)10-24-8-7-15(9-24)22(3)11-17-19-20-18(23(17)4)14-5-6-14/h14-15H,5-11H2,1-4H3
InChIKeyJFEDBWXNWWNAJB-UHFFFAOYSA-N
XLogP2.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine 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-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928276) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine is Cc1noc(C)c1CN1CCC(N(C)Cc2nnc(C3CC3)n2C)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is JFEDBWXNWWNAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12-16(13(2)25-21-12)10-24-8-7-15(9-24)22(3)11-17-19-20-18(23(17)4)14-5-6-14/h14-15H,5-11H2,1-4H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).