2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide

C11H14N4O2 — CID 103101103

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc2c(N)cccc2o1
InChIInChI=1S/C11H14N4O2/c1-2-15(6-9(13)16)11-14-10-7(12)4-3-5-8(10)17-11/h3-5H,2,6,12H2,1H3,(H2,13,16)
InChIKeyQKNLKOIZWFUONQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.72
Rot. Bonds4

About 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide

2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide (PubChem CID 103101103) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide
PubChem CID103101103
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc2c(N)cccc2o1
InChIInChI=1S/C11H14N4O2/c1-2-15(6-9(13)16)11-14-10-7(12)4-3-5-8(10)17-11/h3-5H,2,6,12H2,1H3,(H2,13,16)
InChIKeyQKNLKOIZWFUONQ-UHFFFAOYSA-N
XLogP0.72
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 79996065
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,3-benzoxazole-2,4-diamine
CID 79893527
2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine
CID 79890300
3-[(4-amino-1,3-benzoxazol-2-yl)amino]propanamide
CID 79890103
2-N-methyl-2-N-(2-methylsulfanylethyl)-1,3-benzoxazole-2,4-diamine
CID 112656777
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79893354
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
3-[[(4-amino-1,3-benzoxazol-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 79893540
2-N-methyl-2-N-[(4-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891140
2-[2-(diethylamino)ethylsulfanyl]-1,3-benzoxazol-4-amine
CID 79881433
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)-ethylamino]acetamide?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide (CID 103101103) is 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide?
The InChIKey is QKNLKOIZWFUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-15(6-9(13)16)11-14-10-7(12)4-3-5-8(10)17-11/h3-5H,2,6,12H2,1H3,(H2,13,16).
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide?
2-[(4-amino-1,3-benzoxazol-2-yl)-ethylamino]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.72, 4 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)-ethylamino]acetamide is sourced from PubChem (CID 103101103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).