2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide

C14H20N4O2 — CID 79994991

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-3-7-16-12(19)8-18(2)9-13-17-14-10(15)5-4-6-11(14)20-13/h4-6H,3,7-9,15H2,1-2H3,(H,16,19)
InChIKeyXBWXPAGERGVNSJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.37
Rot. Bonds6

About 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide

2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 79994991) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
PubChem CID79994991
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-3-7-16-12(19)8-18(2)9-13-17-14-10(15)5-4-6-11(14)20-13/h4-6H,3,7-9,15H2,1-2H3,(H,16,19)
InChIKeyXBWXPAGERGVNSJ-UHFFFAOYSA-N
XLogP1.37
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide 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-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79891169
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995484
2-[[methyl(2-methylbutyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995285
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-benzoxazol-4-amine
CID 79999246
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475509
2-[[butan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996230
2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996145
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 79996065

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide (CID 79994991) is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is XBWXPAGERGVNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-7-16-12(19)8-18(2)9-13-17-14-10(15)5-4-6-11(14)20-13/h4-6H,3,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide?
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 79994991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).