(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol

C10H10N2O2 — CID 66264576

IUPAC(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESC[C@H](O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O2/c1-7(13)10-11-9(12-14-10)8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m0/s1
InChIKeyIHRBTPYNWRSKNB-ZETCQYMHSA-N
MW190.20 g/mol
LogP1.79
Rot. Bonds2

About (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol

(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 66264576) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID66264576
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESC[C@H](O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O2/c1-7(13)10-11-9(12-14-10)8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m0/s1
InChIKeyIHRBTPYNWRSKNB-ZETCQYMHSA-N
XLogP1.79
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol (CID 66264576) is (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol is C[C@H](O)c1nc(-c2ccccc2)no1.
What is the InChIKey of (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is IHRBTPYNWRSKNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)10-11-9(12-14-10)8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol?
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 190.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 66264576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).