(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol

C9H14N2O2 — CID 121451248

IUPAC(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESCC1CC(c2nnc([C@@H](C)O)o2)C1
InChIInChI=1S/C9H14N2O2/c1-5-3-7(4-5)9-11-10-8(13-9)6(2)12/h5-7,12H,3-4H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyVDZFGYATNAJLGG-YURFNIAASA-N
MW182.22 g/mol
LogP1.64
Rot. Bonds2

About (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol

(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol (PubChem CID 121451248) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol
PubChem CID121451248
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESCC1CC(c2nnc([C@@H](C)O)o2)C1
InChIInChI=1S/C9H14N2O2/c1-5-3-7(4-5)9-11-10-8(13-9)6(2)12/h5-7,12H,3-4H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyVDZFGYATNAJLGG-YURFNIAASA-N
XLogP1.64
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol?
The IUPAC name of (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol (CID 121451248) is (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol?
The canonical SMILES for (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol is CC1CC(c2nnc([C@@H](C)O)o2)C1.
What is the InChIKey of (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol?
The InChIKey is VDZFGYATNAJLGG-YURFNIAASA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-3-7(4-5)9-11-10-8(13-9)6(2)12/h5-7,12H,3-4H2,1-2H3/t5?,6-,7?/m1/s1.
What are the key properties of (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol?
(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol has a molecular weight of 182.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol is sourced from PubChem (CID 121451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).