6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol

C10H8N2O4 — CID 117313712

IUPAC6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
SMILESNc1oncc1-c1cc2c(cc1O)OCO2
InChIInChI=1S/C10H8N2O4/c11-10-6(3-12-16-10)5-1-8-9(2-7(5)13)15-4-14-8/h1-3,13H,4,11H2
InChIKeyOLMCISCGSDNZOV-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.36
Rot. Bonds1

About 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol

6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol (PubChem CID 117313712) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
PubChem CID117313712
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
SMILESNc1oncc1-c1cc2c(cc1O)OCO2
InChIInChI=1S/C10H8N2O4/c11-10-6(3-12-16-10)5-1-8-9(2-7(5)13)15-4-14-8/h1-3,13H,4,11H2
InChIKeyOLMCISCGSDNZOV-UHFFFAOYSA-N
XLogP1.36
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117349722
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117332534
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
CID 117453434
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol (CID 117313712) is 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol is Nc1oncc1-c1cc2c(cc1O)OCO2.
What is the InChIKey of 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol?
The InChIKey is OLMCISCGSDNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-10-6(3-12-16-10)5-1-8-9(2-7(5)13)15-4-14-8/h1-3,13H,4,11H2.
What are the key properties of 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol?
6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol has a molecular weight of 220.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).