2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol

C12H16N2O3 — CID 113453475

IUPAC2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C12H16N2O3/c1-4-10(15)7(2)12-13-11(14-17-12)9-5-6-16-8(9)3/h5-7,10,15H,4H2,1-3H3
InChIKeyYAKBBDIQLYXXKY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds4

About 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol

2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 113453475) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID113453475
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C12H16N2O3/c1-4-10(15)7(2)12-13-11(14-17-12)9-5-6-16-8(9)3/h5-7,10,15H,4H2,1-3H3
InChIKeyYAKBBDIQLYXXKY-UHFFFAOYSA-N
XLogP2.51
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol with MolForge

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Related Compounds

N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 104791003
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 81282139
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55221114
(1S)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565554
ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 104789036
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55220902
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104788871
1,1,1-trifluoro-3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 104790951
(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 113453475) is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(-c2ccoc2C)no1.
What is the InChIKey of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is YAKBBDIQLYXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-10(15)7(2)12-13-11(14-17-12)9-5-6-16-8(9)3/h5-7,10,15H,4H2,1-3H3.
What are the key properties of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 236.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 113453475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).