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

C9H8N2O2 — CID 101417639

IUPAC(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol
SMILESO[C@@H](c1ccccc1)c1nnco1
InChIInChI=1S/C9H8N2O2/c12-8(9-11-10-6-13-9)7-4-2-1-3-5-7/h1-6,8,12H/t8-/m0/s1
InChIKeyPWWWNWDSCJUSFC-QMMMGPOBSA-N
MW176.17 g/mol
LogP1.15
Rot. Bonds2

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

(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol (PubChem CID 101417639) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol.

Molecular Properties

Compound Name(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol
PubChem CID101417639
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol
SMILESO[C@@H](c1ccccc1)c1nnco1
InChIInChI=1S/C9H8N2O2/c12-8(9-11-10-6-13-9)7-4-2-1-3-5-7/h1-6,8,12H/t8-/m0/s1
InChIKeyPWWWNWDSCJUSFC-QMMMGPOBSA-N
XLogP1.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol?
The IUPAC name of (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol (CID 101417639) is (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol.
What is the SMILES notation for (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol?
The canonical SMILES for (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol is O[C@@H](c1ccccc1)c1nnco1.
What is the InChIKey of (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol?
The InChIKey is PWWWNWDSCJUSFC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8(9-11-10-6-13-9)7-4-2-1-3-5-7/h1-6,8,12H/t8-/m0/s1.
What are the key properties of (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol?
(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol has a molecular weight of 176.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1,3,4-oxadiazol-2-yl(phenyl)methanol is sourced from PubChem (CID 101417639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).