4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine

C10H8N2O2S — CID 117314072

IUPAC4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2c(c1)SCO2
InChIInChI=1S/C10H8N2O2S/c11-10-7(4-12-14-10)6-1-2-8-9(3-6)15-5-13-8/h1-4H,5,11H2
InChIKeyCZTXUFNOQWLACX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds1

About 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine

4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117314072) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
PubChem CID117314072
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2c(c1)SCO2
InChIInChI=1S/C10H8N2O2S/c11-10-7(4-12-14-10)6-1-2-8-9(3-6)15-5-13-8/h1-4H,5,11H2
InChIKeyCZTXUFNOQWLACX-UHFFFAOYSA-N
XLogP2.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
CID 117362249
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
5-iodo-1,3-benzoxathiole
CID 71041502
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine (CID 117314072) is 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc2c(c1)SCO2.
What is the InChIKey of 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is CZTXUFNOQWLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-7(4-12-14-10)6-1-2-8-9(3-6)15-5-13-8/h1-4H,5,11H2.
What are the key properties of 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine?
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 220.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).