4-ethoxy-2,1-benzoxazol-3-amine

C9H10N2O2 — CID 146278299

IUPAC4-ethoxy-2,1-benzoxazol-3-amine
SMILESCCOc1cccc2noc(N)c12
InChIInChI=1S/C9H10N2O2/c1-2-12-7-5-3-4-6-8(7)9(10)13-11-6/h3-5H,2,10H2,1H3
InChIKeyRCGXYKLPDFAJLT-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.81
Rot. Bonds2

About 4-ethoxy-2,1-benzoxazol-3-amine

4-ethoxy-2,1-benzoxazol-3-amine (PubChem CID 146278299) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-ethoxy-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-2,1-benzoxazol-3-amine
PubChem CID146278299
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-ethoxy-2,1-benzoxazol-3-amine
SMILESCCOc1cccc2noc(N)c12
InChIInChI=1S/C9H10N2O2/c1-2-12-7-5-3-4-6-8(7)9(10)13-11-6/h3-5H,2,10H2,1H3
InChIKeyRCGXYKLPDFAJLT-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
1,9-diethoxyphenazine
CID 71668489
8-ethoxyquinoxalin-2-amine
CID 133058071
4-methoxy-3-methyl-2,1-benzoxazole
CID 119091546
4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
CID 146278292
7-ethoxy-1,3-benzothiazole
CID 18461248
3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
2-amino-4-ethoxy-1-benzothiophene-3-thiol
CID 130816645
2-ethoxyaniline;molecular hydrogen
CID 144877970
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
4,5-diethoxychromen-2-one
CID 90255780
4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 83163271

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,1-benzoxazol-3-amine?
The IUPAC name of 4-ethoxy-2,1-benzoxazol-3-amine (CID 146278299) is 4-ethoxy-2,1-benzoxazol-3-amine.
What is the SMILES notation for 4-ethoxy-2,1-benzoxazol-3-amine?
The canonical SMILES for 4-ethoxy-2,1-benzoxazol-3-amine is CCOc1cccc2noc(N)c12.
What is the InChIKey of 4-ethoxy-2,1-benzoxazol-3-amine?
The InChIKey is RCGXYKLPDFAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-12-7-5-3-4-6-8(7)9(10)13-11-6/h3-5H,2,10H2,1H3.
What are the key properties of 4-ethoxy-2,1-benzoxazol-3-amine?
4-ethoxy-2,1-benzoxazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,1-benzoxazol-3-amine is sourced from PubChem (CID 146278299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).