2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol

C10H12N2O4S — CID 81433445

IUPAC2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
SMILESCS(=O)(=O)c1ccc2oc(C(O)CN)nc2c1
InChIInChI=1S/C10H12N2O4S/c1-17(14,15)6-2-3-9-7(4-6)12-10(16-9)8(13)5-11/h2-4,8,13H,5,11H2,1H3
InChIKeyXEIOGCNIFNBCNK-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.22
Rot. Bonds3

About 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol

2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol (PubChem CID 81433445) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
PubChem CID81433445
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
SMILESCS(=O)(=O)c1ccc2oc(C(O)CN)nc2c1
InChIInChI=1S/C10H12N2O4S/c1-17(14,15)6-2-3-9-7(4-6)12-10(16-9)8(13)5-11/h2-4,8,13H,5,11H2,1H3
InChIKeyXEIOGCNIFNBCNK-UHFFFAOYSA-N
XLogP0.22
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81421458
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
N-[(5-methylsulfonyl-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 81434082
1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 81433807
4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)butanoic acid
CID 81434264
N-[(5-methylsulfonyl-1,3-benzoxazol-2-yl)methyl]butan-2-amine
CID 81433352
5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 81434358
4-chloro-3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)aniline
CID 81421707
3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 81433092
(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
CID 66263440
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
2-(aminomethyl)-1,3-benzoxazole-5-sulfonyl chloride
CID 118804083

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol (CID 81433445) is 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol is CS(=O)(=O)c1ccc2oc(C(O)CN)nc2c1.
What is the InChIKey of 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol?
The InChIKey is XEIOGCNIFNBCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-17(14,15)6-2-3-9-7(4-6)12-10(16-9)8(13)5-11/h2-4,8,13H,5,11H2,1H3.
What are the key properties of 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol?
2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol has a molecular weight of 256.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol is sourced from PubChem (CID 81433445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).