N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

C16H26N4O — CID 79915668

IUPACN-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CN1CCN2CCCCC2C1
InChIInChI=1S/C16H26N4O/c1-2-6-20-8-7-19(11-15(20)3-1)12-16-9-14(18-21-16)10-17-13-4-5-13/h9,13,15,17H,1-8,10-12H2
InChIKeyZETRXJZMKHUOLR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.60
Rot. Bonds5

About N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 79915668) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID79915668
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CN1CCN2CCCCC2C1
InChIInChI=1S/C16H26N4O/c1-2-6-20-8-7-19(11-15(20)3-1)12-16-9-14(18-21-16)10-17-13-4-5-13/h9,13,15,17H,1-8,10-12H2
InChIKeyZETRXJZMKHUOLR-UHFFFAOYSA-N
XLogP1.60
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine 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-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 79915668) is N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is c1c(CNC2CC2)noc1CN1CCN2CCCCC2C1.
What is the InChIKey of N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is ZETRXJZMKHUOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-6-20-8-7-19(11-15(20)3-1)12-16-9-14(18-21-16)10-17-13-4-5-13/h9,13,15,17H,1-8,10-12H2.
What are the key properties of N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79915668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).