2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide

C14H20N4O2 — CID 79892475

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-4-8-18(9-12(19)17(2)3)14-16-13-10(15)6-5-7-11(13)20-14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyJIZXSSFWZKEPNI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide

2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 79892475) 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)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID79892475
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-4-8-18(9-12(19)17(2)3)14-16-13-10(15)6-5-7-11(13)20-14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyJIZXSSFWZKEPNI-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)-ethylamino]acetamide
CID 103101103
2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79890875
2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine
CID 79890300
2-N-methyl-2-N-(2-methylsulfanylethyl)-1,3-benzoxazole-2,4-diamine
CID 112656777
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,3-benzoxazole-2,4-diamine
CID 79893527
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
CID 133272030
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79893354
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
CID 79994991
2-N-(3-fluorophenyl)-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79892638
2-N-methyl-2-N-[(4-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891140
3-[[(4-amino-1,3-benzoxazol-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 79893540
2-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891016

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide (CID 79892475) is 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is JIZXSSFWZKEPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-8-18(9-12(19)17(2)3)14-16-13-10(15)6-5-7-11(13)20-14/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide?
2-[(4-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-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).