N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C13H22N4O — CID 55070405

IUPACN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCN1CCN(Cc2cc(CNC3CC3)no2)CC1
InChIInChI=1S/C13H22N4O/c1-16-4-6-17(7-5-16)10-13-8-12(15-18-13)9-14-11-2-3-11/h8,11,14H,2-7,9-10H2,1H3
InChIKeyWGVBKBUYOPYKJX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.67
Rot. Bonds5

About N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 55070405) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID55070405
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCN1CCN(Cc2cc(CNC3CC3)no2)CC1
InChIInChI=1S/C13H22N4O/c1-16-4-6-17(7-5-16)10-13-8-12(15-18-13)9-14-11-2-3-11/h8,11,14H,2-7,9-10H2,1H3
InChIKeyWGVBKBUYOPYKJX-UHFFFAOYSA-N
XLogP0.67
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(4-methylpiperazin-1-yl)methyl]-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

Related Compounds

N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
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
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072238
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62446726
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 55070405) is N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CN1CCN(Cc2cc(CNC3CC3)no2)CC1.
What is the InChIKey of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is WGVBKBUYOPYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-4-6-17(7-5-16)10-13-8-12(15-18-13)9-14-11-2-3-11/h8,11,14H,2-7,9-10H2,1H3.
What are the key properties of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 250.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55070405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).