2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine

C13H18N4O — CID 115229812

IUPAC2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCN3CCNCC3)ccc2o1
InChIInChI=1S/C13H18N4O/c1-10-16-12-8-11(2-3-13(12)18-10)15-9-17-6-4-14-5-7-17/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyWQGXRUFTDHDNQU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine

2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 115229812) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID115229812
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCN3CCNCC3)ccc2o1
InChIInChI=1S/C13H18N4O/c1-10-16-12-8-11(2-3-13(12)18-10)15-9-17-6-4-14-5-7-17/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyWQGXRUFTDHDNQU-UHFFFAOYSA-N
XLogP1.41
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine 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

2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-5-amine
CID 115230302
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500375
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500379
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
CID 115238276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine (CID 115229812) is 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine is Cc1nc2cc(NCN3CCNCC3)ccc2o1.
What is the InChIKey of 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is WQGXRUFTDHDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-16-12-8-11(2-3-13(12)18-10)15-9-17-6-4-14-5-7-17/h2-3,8,14-15H,4-7,9H2,1H3.
What are the key properties of 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine?
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115229812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).