3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C12H20N2O3 — CID 55201054

IUPAC3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(C)C(O)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C12H20N2O3/c1-8(2)10(15)7-12-13-11(14-17-12)6-9-4-3-5-16-9/h8-10,15H,3-7H2,1-2H3
InChIKeyFSQNTBHPQAKIEN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.35
Rot. Bonds5

About 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 55201054) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID55201054
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(C)C(O)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C12H20N2O3/c1-8(2)10(15)7-12-13-11(14-17-12)6-9-4-3-5-16-9/h8-10,15H,3-7H2,1-2H3
InChIKeyFSQNTBHPQAKIEN-UHFFFAOYSA-N
XLogP1.35
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 55201054) is 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(C)C(O)Cc1nc(CC2CCCO2)no1.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is FSQNTBHPQAKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)10(15)7-12-13-11(14-17-12)6-9-4-3-5-16-9/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 55201054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).