5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one

C13H17NO6 — CID 141490122

IUPAC5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
SMILESCOCCOc1cc2[nH]c(=O)oc2cc1OCCOC
InChIInChI=1S/C13H17NO6/c1-16-3-5-18-11-7-9-10(20-13(15)14-9)8-12(11)19-6-4-17-2/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyTVEUFROZOATVJA-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.17
Rot. Bonds8

About 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one

5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one (PubChem CID 141490122) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
PubChem CID141490122
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
SMILESCOCCOc1cc2[nH]c(=O)oc2cc1OCCOC
InChIInChI=1S/C13H17NO6/c1-16-3-5-18-11-7-9-10(20-13(15)14-9)8-12(11)19-6-4-17-2/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyTVEUFROZOATVJA-UHFFFAOYSA-N
XLogP1.17
TPSA82.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 115425894
6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
6-amino-5-octoxy-3H-1,3-benzoxazol-2-one
CID 115425928
6-amino-5-(3-methylbutoxy)-3H-1,3-benzoxazol-2-one
CID 113307460
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 82948933
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773997
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425313
6-amino-5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106250680
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one (CID 141490122) is 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one is COCCOc1cc2[nH]c(=O)oc2cc1OCCOC.
What is the InChIKey of 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The InChIKey is TVEUFROZOATVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-16-3-5-18-11-7-9-10(20-13(15)14-9)8-12(11)19-6-4-17-2/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one has a molecular weight of 283.28 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 141490122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).