5-methoxy-1,2-benzoxazol-4-amine

C8H8N2O2 — CID 117109992

IUPAC5-methoxy-1,2-benzoxazol-4-amine
SMILESCOc1ccc2oncc2c1N
InChIInChI=1S/C8H8N2O2/c1-11-7-3-2-6-5(8(7)9)4-10-12-6/h2-4H,9H2,1H3
InChIKeyHDMNERMKYGERTL-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.42
Rot. Bonds1

About 5-methoxy-1,2-benzoxazol-4-amine

5-methoxy-1,2-benzoxazol-4-amine (PubChem CID 117109992) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-methoxy-1,2-benzoxazol-4-amine.

Molecular Properties

Compound Name5-methoxy-1,2-benzoxazol-4-amine
PubChem CID117109992
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-methoxy-1,2-benzoxazol-4-amine
SMILESCOc1ccc2oncc2c1N
InChIInChI=1S/C8H8N2O2/c1-11-7-3-2-6-5(8(7)9)4-10-12-6/h2-4H,9H2,1H3
InChIKeyHDMNERMKYGERTL-UHFFFAOYSA-N
XLogP1.42
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-1,2-benzoxazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-benzofuran-4-amine
CID 82373036
5-methoxy-1H-indazol-4-amine
CID 76845989
4-fluoro-1,2-benzoxazol-5-amine
CID 84649584
4-(methoxymethyl)-5-methyl-1,2-benzoxazole
CID 123721014
2,3-diamino-4-methoxyphenol
CID 70465216
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390
3-methoxy-1,2-benzoxazol-5-amine
CID 83668440
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
5,6-dimethoxyphenanthro[9,10-d][1,2]oxazole
CID 11323437

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-benzoxazol-4-amine?
The IUPAC name of 5-methoxy-1,2-benzoxazol-4-amine (CID 117109992) is 5-methoxy-1,2-benzoxazol-4-amine.
What is the SMILES notation for 5-methoxy-1,2-benzoxazol-4-amine?
The canonical SMILES for 5-methoxy-1,2-benzoxazol-4-amine is COc1ccc2oncc2c1N.
What is the InChIKey of 5-methoxy-1,2-benzoxazol-4-amine?
The InChIKey is HDMNERMKYGERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-7-3-2-6-5(8(7)9)4-10-12-6/h2-4H,9H2,1H3.
What are the key properties of 5-methoxy-1,2-benzoxazol-4-amine?
5-methoxy-1,2-benzoxazol-4-amine has a molecular weight of 164.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-benzoxazol-4-amine is sourced from PubChem (CID 117109992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).