2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide

C13H17N3O4 — CID 62299705

IUPAC2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
SMILESCCn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21
InChIInChI=1S/C13H17N3O4/c1-2-16-10-4-3-8(5-11(10)20-13(16)18)9(14)6-19-7-12(15)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,17)
InChIKeyXQPPTOXSZYAZAP-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.12
Rot. Bonds6

About 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide

2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide (PubChem CID 62299705) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
PubChem CID62299705
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
SMILESCCn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21
InChIInChI=1S/C13H17N3O4/c1-2-16-10-4-3-8(5-11(10)20-13(16)18)9(14)6-19-7-12(15)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,17)
InChIKeyXQPPTOXSZYAZAP-UHFFFAOYSA-N
XLogP0.12
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 55054065
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
CID 62298655
6-(1-amino-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62677655
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
CID 82341277
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115
3-ethyl-6-[hydroxy(thiophen-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62299525
6-(1-bromohexyl)-3-ethyl-1,3-benzoxazol-2-one
CID 55197474

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide (CID 62299705) is 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide is CCn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21.
What is the InChIKey of 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The InChIKey is XQPPTOXSZYAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-16-10-4-3-8(5-11(10)20-13(16)18)9(14)6-19-7-12(15)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,17).
What are the key properties of 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide is sourced from PubChem (CID 62299705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).