1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

C10H16N2O5 — CID 65351655

IUPAC1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1nc(C2COCCO2)no1
InChIInChI=1S/C10H16N2O5/c1-14-5-7(13)4-9-11-10(12-17-9)8-6-15-2-3-16-8/h7-8,13H,2-6H2,1H3
InChIKeyVCWGEVRJBBZLIA-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.29
Rot. Bonds5

About 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (PubChem CID 65351655) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
PubChem CID65351655
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1nc(C2COCCO2)no1
InChIInChI=1S/C10H16N2O5/c1-14-5-7(13)4-9-11-10(12-17-9)8-6-15-2-3-16-8/h7-8,13H,2-6H2,1H3
InChIKeyVCWGEVRJBBZLIA-UHFFFAOYSA-N
XLogP-0.29
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65351799
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 114286517
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65351798
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65353018
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65351704
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115826071
3-[2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 65353320
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65353536

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (CID 65351655) is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is COCC(O)Cc1nc(C2COCCO2)no1.
What is the InChIKey of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The InChIKey is VCWGEVRJBBZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-14-5-7(13)4-9-11-10(12-17-9)8-6-15-2-3-16-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol has a molecular weight of 244.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 65351655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).