4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine

C10H7ClN2O3 — CID 117349722

IUPAC4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(Cl)cc2c1OCO2
InChIInChI=1S/C10H7ClN2O3/c11-5-1-6(7-3-13-16-10(7)12)9-8(2-5)14-4-15-9/h1-3H,4,12H2
InChIKeyZAWZZNIYFQLDFD-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.31
Rot. Bonds1

About 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine

4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine (PubChem CID 117349722) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
PubChem CID117349722
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(Cl)cc2c1OCO2
InChIInChI=1S/C10H7ClN2O3/c11-5-1-6(7-3-13-16-10(7)12)9-8(2-5)14-4-15-9/h1-3H,4,12H2
InChIKeyZAWZZNIYFQLDFD-UHFFFAOYSA-N
XLogP2.31
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
CID 117313712
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
CID 117453434
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117367649
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
1-(6-chloro-1,3-benzodioxol-4-yl)ethanamine
CID 58707338
4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
CID 117446934
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine (CID 117349722) is 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc(Cl)cc2c1OCO2.
What is the InChIKey of 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is ZAWZZNIYFQLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-5-1-6(7-3-13-16-10(7)12)9-8(2-5)14-4-15-9/h1-3H,4,12H2.
What are the key properties of 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 238.63 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).