2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol

C10H12N2O2S — CID 64805983

IUPAC2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O2S/c11-7(5-13)6-15-10-12-8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6,11H2
InChIKeyWCKJXNDWWUODPY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.24
Rot. Bonds4

About 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol

2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64805983) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
PubChem CID64805983
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O2S/c11-7(5-13)6-15-10-12-8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6,11H2
InChIKeyWCKJXNDWWUODPY-UHFFFAOYSA-N
XLogP1.24
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64805790
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
CID 64647808
3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid
CID 3108359
4-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylbutane-1,3-diol
CID 23928188
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanamine
CID 64650543
1-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxypropan-2-ol
CID 5333015
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371399
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
2-amino-4-(1,3-benzoxazol-2-ylsulfanyl)butanenitrile
CID 63054077
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethylphenyl)ethanamine
CID 64648005
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64650155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol (CID 64805983) is 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol is NC(CO)CSc1nc2ccccc2o1.
What is the InChIKey of 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is WCKJXNDWWUODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-7(5-13)6-15-10-12-8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6,11H2.
What are the key properties of 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol?
2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64805983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).