5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol

C11H9ClN2O4 — CID 136992021

IUPAC5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNc1cc(-c2c(O)c(Cl)cc3c2OCCO3)no1
InChIInChI=1S/C11H9ClN2O4/c12-5-3-7-11(17-2-1-16-7)9(10(5)15)6-4-8(13)18-14-6/h3-4,15H,1-2,13H2
InChIKeyCROYHRYWTMEBNK-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.05
Rot. Bonds1

About 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol

5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 136992021) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID136992021
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNc1cc(-c2c(O)c(Cl)cc3c2OCCO3)no1
InChIInChI=1S/C11H9ClN2O4/c12-5-3-7-11(17-2-1-16-7)9(10(5)15)6-4-8(13)18-14-6/h3-4,15H,1-2,13H2
InChIKeyCROYHRYWTMEBNK-UHFFFAOYSA-N
XLogP2.05
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
6-(5-amino-1,2-oxazol-3-yl)-8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 136995197
5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117339872
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856
4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 137007271
5-(7-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 136928655
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol (CID 136992021) is 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol is Nc1cc(-c2c(O)c(Cl)cc3c2OCCO3)no1.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is CROYHRYWTMEBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c12-5-3-7-11(17-2-1-16-7)9(10(5)15)6-4-8(13)18-14-6/h3-4,15H,1-2,13H2.
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol?
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 268.66 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 136992021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).