6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one

C12H14N2O3 — CID 82341277

IUPAC6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(=O)C(C)N)ccc21
InChIInChI=1S/C12H14N2O3/c1-3-14-9-5-4-8(11(15)7(2)13)6-10(9)17-12(14)16/h4-7H,3,13H2,1-2H3
InChIKeyLGXGNVCMQXOWME-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.14
Rot. Bonds3

About 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one

6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 82341277) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
PubChem CID82341277
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(=O)C(C)N)ccc21
InChIInChI=1S/C12H14N2O3/c1-3-14-9-5-4-8(11(15)7(2)13)6-10(9)17-12(14)16/h4-7H,3,13H2,1-2H3
InChIKeyLGXGNVCMQXOWME-UHFFFAOYSA-N
XLogP1.14
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-(2-methylpropanoyl)-1,3-benzoxazol-2-one
CID 62298450
3-ethyl-6-(2-propylpentanoyl)-1,3-benzoxazol-2-one
CID 82984978
6-(2-chloropropanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299172
6-(3-methylpentanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 114874044
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705
2-amino-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116920547
6-(1-amino-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62677655
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
4-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297645
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
6-(1-bromo-3-methylpentyl)-3-ethyl-1,3-benzoxazol-2-one
CID 114876162

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one (CID 82341277) is 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(=O)C(C)N)ccc21.
What is the InChIKey of 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is LGXGNVCMQXOWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-14-9-5-4-8(11(15)7(2)13)6-10(9)17-12(14)16/h4-7H,3,13H2,1-2H3.
What are the key properties of 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one?
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82341277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).