(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol

C11H12N2O2 — CID 101417641

IUPAC(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
SMILESCCc1nnc([C@@H](O)c2ccccc2)o1
InChIInChI=1S/C11H12N2O2/c1-2-9-12-13-11(15-9)10(14)8-6-4-3-5-7-8/h3-7,10,14H,2H2,1H3/t10-/m0/s1
InChIKeyIRKMNHCWUYWHGJ-JTQLQIEISA-N
MW204.23 g/mol
LogP1.71
Rot. Bonds3

About (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol

(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol (PubChem CID 101417641) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
PubChem CID101417641
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
SMILESCCc1nnc([C@@H](O)c2ccccc2)o1
InChIInChI=1S/C11H12N2O2/c1-2-9-12-13-11(15-9)10(14)8-6-4-3-5-7-8/h3-7,10,14H,2H2,1H3/t10-/m0/s1
InChIKeyIRKMNHCWUYWHGJ-JTQLQIEISA-N
XLogP1.71
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol?
The IUPAC name of (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol (CID 101417641) is (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol.
What is the SMILES notation for (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol?
The canonical SMILES for (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol is CCc1nnc([C@@H](O)c2ccccc2)o1.
What is the InChIKey of (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol?
The InChIKey is IRKMNHCWUYWHGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-9-12-13-11(15-9)10(14)8-6-4-3-5-7-8/h3-7,10,14H,2H2,1H3/t10-/m0/s1.
What are the key properties of (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol?
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol has a molecular weight of 204.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol is sourced from PubChem (CID 101417641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).