2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide

C14H20N4O2 — CID 79890875

IUPAC2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc2cc(N)ccc2o1
InChIInChI=1S/C14H20N4O2/c1-4-7-18(9-13(19)17(2)3)14-16-11-8-10(15)5-6-12(11)20-14/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyJUIHIOYXDIIJJN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide

2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 79890875) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID79890875
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc2cc(N)ccc2o1
InChIInChI=1S/C14H20N4O2/c1-4-7-18(9-13(19)17(2)3)14-16-11-8-10(15)5-6-12(11)20-14/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyJUIHIOYXDIIJJN-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79892475
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79891045
2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116690897
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79884734
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 104533692
ethyl 5-amino-1,3-benzoxazole-2-carboxylate
CID 118999769
2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide
CID 79893425
2-N-methyl-2-N-(3-methylbutan-2-yl)-1,3-benzoxazole-2,5-diamine
CID 79885359
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-methylacetamide
CID 61359830
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide (CID 79890875) is 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is JUIHIOYXDIIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-7-18(9-13(19)17(2)3)14-16-11-8-10(15)5-6-12(11)20-14/h5-6,8H,4,7,9,15H2,1-3H3.
What are the key properties of 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79890875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).