2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H13N3O2S — CID 104633193

IUPAC2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CSc2ccccc2)n1
InChIInChI=1S/C11H13N3O2S/c12-9(6-15)11-13-10(16-14-11)7-17-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2
InChIKeyNXMFHLNYERKFJM-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633193) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633193
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CSc2ccccc2)n1
InChIInChI=1S/C11H13N3O2S/c12-9(6-15)11-13-10(16-14-11)7-17-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2
InChIKeyNXMFHLNYERKFJM-UHFFFAOYSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633193) is 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(CSc2ccccc2)n1.
What is the InChIKey of 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is NXMFHLNYERKFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-9(6-15)11-13-10(16-14-11)7-17-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2.
What are the key properties of 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 251.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).