1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol

C10H12N2O2S — CID 65279309

IUPAC1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
SMILESCC(O)CSc1nc2ccc(N)cc2o1
InChIInChI=1S/C10H12N2O2S/c1-6(13)5-15-10-12-8-3-2-7(11)4-9(8)14-10/h2-4,6,13H,5,11H2,1H3
InChIKeyVSDVTFCLQBMBTK-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds3

About 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol

1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 65279309) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
PubChem CID65279309
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
SMILESCC(O)CSc1nc2ccc(N)cc2o1
InChIInChI=1S/C10H12N2O2S/c1-6(13)5-15-10-12-8-3-2-7(11)4-9(8)14-10/h2-4,6,13H,5,11H2,1H3
InChIKeyVSDVTFCLQBMBTK-UHFFFAOYSA-N
XLogP1.88
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359047
3-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 79890299
2-(3-methylbutan-2-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 107747829
2-prop-2-enylsulfanyl-1,3-benzoxazol-6-amine
CID 130507814
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
CID 79892783
4-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]butanenitrile
CID 61358286
2-(pyridin-2-ylmethylsulfanyl)-1,3-benzoxazol-6-amine
CID 61357703
2-(3-ethylsulfonylpropylsulfanyl)-1,3-benzoxazol-6-amine
CID 65095728
4-[(6-amino-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 61359052
2-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]-1,3-benzoxazol-6-amine
CID 103013697
2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 61485475
2-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3-benzoxazol-6-amine
CID 114531096

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol (CID 65279309) is 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol is CC(O)CSc1nc2ccc(N)cc2o1.
What is the InChIKey of 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is VSDVTFCLQBMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(13)5-15-10-12-8-3-2-7(11)4-9(8)14-10/h2-4,6,13H,5,11H2,1H3.
What are the key properties of 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol?
1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 224.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 65279309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).