2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid

C12H12N2O6 — CID 175287249

IUPAC2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H12N2O6/c15-9(6-19-4-3-13-11(16)17)7-1-2-8-10(5-7)20-12(18)14-8/h1-2,5,13H,3-4,6H2,(H,14,18)(H,16,17)
InChIKeyXRAWKOBHQFUPIB-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.59
Rot. Bonds6

About 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid

2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid (PubChem CID 175287249) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid
PubChem CID175287249
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H12N2O6/c15-9(6-19-4-3-13-11(16)17)7-1-2-8-10(5-7)20-12(18)14-8/h1-2,5,13H,3-4,6H2,(H,14,18)(H,16,17)
InChIKeyXRAWKOBHQFUPIB-UHFFFAOYSA-N
XLogP0.59
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,2,2-trifluoroethoxy)acetyl]-3H-1,3-benzoxazol-2-one
CID 103206533
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-[2-(propan-2-ylamino)acetyl]-3H-1,3-benzoxazol-2-one
CID 13038881
2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetic acid
CID 61328371
3-[methyl-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]amino]propanoic acid
CID 82136269
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 116862950
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one
CID 103162397
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid (CID 175287249) is 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid is O=C(O)NCCOCC(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid?
The InChIKey is XRAWKOBHQFUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c15-9(6-19-4-3-13-11(16)17)7-1-2-8-10(5-7)20-12(18)14-8/h1-2,5,13H,3-4,6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid?
2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid has a molecular weight of 280.24 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid is sourced from PubChem (CID 175287249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).