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

C10H12N2O4 — CID 115425894

IUPAC6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
SMILESCOCCOc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C10H12N2O4/c1-14-2-3-15-8-5-7-9(4-6(8)11)16-10(13)12-7/h4-5H,2-3,11H2,1H3,(H,12,13)
InChIKeyUOPXQPGYGGIYTM-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.73
Rot. Bonds4

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

6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one (PubChem CID 115425894) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
PubChem CID115425894
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
SMILESCOCCOc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C10H12N2O4/c1-14-2-3-15-8-5-7-9(4-6(8)11)16-10(13)12-7/h4-5H,2-3,11H2,1H3,(H,12,13)
InChIKeyUOPXQPGYGGIYTM-UHFFFAOYSA-N
XLogP0.73
TPSA90.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 141490122
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
6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one
CID 115425967
6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 82948933
6-amino-5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106250680
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
6-amino-5-(oxolan-3-yloxy)-3H-1,3-benzoxazol-2-one
CID 115425982
6-amino-5-(3,4-dichlorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425956
6-amino-5-(2-bromo-4-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425859
2-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetic acid
CID 115425524

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one (CID 115425894) is 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one is COCCOc1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
The InChIKey is UOPXQPGYGGIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-14-2-3-15-8-5-7-9(4-6(8)11)16-10(13)12-7/h4-5H,2-3,11H2,1H3,(H,12,13).
What are the key properties of 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one?
6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one has a molecular weight of 224.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).