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

C17H25N5O2 — CID 71928490

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cnc(CN2CCC(N(C)Cc3noc(C4CC4)n3)C2)o1
InChIInChI=1S/C17H25N5O2/c1-3-14-8-18-16(23-14)11-22-7-6-13(9-22)21(2)10-15-19-17(24-20-15)12-4-5-12/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyUJCSVABWAHRYSU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.20
Rot. Bonds7

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928490) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928490
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cnc(CN2CCC(N(C)Cc3noc(C4CC4)n3)C2)o1
InChIInChI=1S/C17H25N5O2/c1-3-14-8-18-16(23-14)11-22-7-6-13(9-22)21(2)10-15-19-17(24-20-15)12-4-5-12/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyUJCSVABWAHRYSU-UHFFFAOYSA-N
XLogP2.20
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928490) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is CCc1cnc(CN2CCC(N(C)Cc3noc(C4CC4)n3)C2)o1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is UJCSVABWAHRYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-14-8-18-16(23-14)11-22-7-6-13(9-22)21(2)10-15-19-17(24-20-15)12-4-5-12/h8,12-13H,3-7,9-11H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 331.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).