3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one

C16H16N2O3 — CID 82344656

IUPAC3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1cccc(N)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-6-14-15(9-11)21-16(19)18(14)7-8-20-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyFNYWEIOZVUPZOH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.56
Rot. Bonds4

About 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one

3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one (PubChem CID 82344656) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
PubChem CID82344656
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCOc1cccc(N)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-6-14-15(9-11)21-16(19)18(14)7-8-20-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyFNYWEIOZVUPZOH-UHFFFAOYSA-N
XLogP2.56
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminophenoxy)propyl]-1,3-benzoxazol-2-one
CID 43365775
3-[2-(3-aminophenoxy)ethyl]-5-chloro-1,3-benzoxazol-2-one
CID 82097982
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
1-[4-(3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802299
6-amino-3-[(2,4-dimethylphenyl)methyl]-1,3-benzoxazol-2-one
CID 82092548
3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one (CID 82344656) is 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one?
The InChIKey is FNYWEIOZVUPZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-6-14-15(9-11)21-16(19)18(14)7-8-20-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one?
3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).