5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

C11H9ClN2O4 — CID 117425013

IUPAC5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc2c(c1Cl)OCO2
InChIInChI=1S/C11H9ClN2O4/c1-15-10-5(6-3-8(13)14-18-6)2-7-11(9(10)12)17-4-16-7/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZNJARCWJJTYDBA-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.31
Rot. Bonds2

About 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (PubChem CID 117425013) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
PubChem CID117425013
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc2c(c1Cl)OCO2
InChIInChI=1S/C11H9ClN2O4/c1-15-10-5(6-3-8(13)14-18-6)2-7-11(9(10)12)17-4-16-7/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZNJARCWJJTYDBA-UHFFFAOYSA-N
XLogP2.31
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-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-(7-Fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
5-(5-Fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117383168
5-(6-Fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117383170
5-(6-Chloro-5-fluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117394729
5-(7-Chloro-6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117394730
5-(3-Fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 117424010
5-(5-Chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117434265
5-(3-Chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117434266
6-(3-Amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
CID 137017185
5-(2,4,5-Trimethoxyphenyl)-1,2-oxazol-3-amine
CID 66199413
5-(2,3,4-Trimethoxyphenyl)-1,2-oxazol-3-amine
CID 66201009
4-Chloro-5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555444

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (CID 117425013) is 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)cc2c(c1Cl)OCO2.
What is the InChIKey of 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is ZNJARCWJJTYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-15-10-5(6-3-8(13)14-18-6)2-7-11(9(10)12)17-4-16-7/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 268.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117425013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).