5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C9H18N4O — CID 13364974

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN1CCN(CC2CN=C(N)O2)CC1
InChIInChI=1S/C9H18N4O/c1-12-2-4-13(5-3-12)7-8-6-11-9(10)14-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyBCKJOVLRIRAXBU-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.05
Rot. Bonds2

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

5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 13364974) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID13364974
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN1CCN(CC2CN=C(N)O2)CC1
InChIInChI=1S/C9H18N4O/c1-12-2-4-13(5-3-12)7-8-6-11-9(10)14-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyBCKJOVLRIRAXBU-UHFFFAOYSA-N
XLogP-1.05
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-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 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 13364974) is 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CN1CCN(CC2CN=C(N)O2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BCKJOVLRIRAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-12-2-4-13(5-3-12)7-8-6-11-9(10)14-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 13364974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).