3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol

C14H17N3O4 — CID 106474173

IUPAC3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCOc1ccc(Cc2noc(C3COCCC3O)n2)cn1
InChIInChI=1S/C14H17N3O4/c1-19-13-3-2-9(7-15-13)6-12-16-14(21-17-12)10-8-20-5-4-11(10)18/h2-3,7,10-11,18H,4-6,8H2,1H3
InChIKeyYMJVRYHEHNEUCN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.93
Rot. Bonds4

About 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474173) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474173
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCOc1ccc(Cc2noc(C3COCCC3O)n2)cn1
InChIInChI=1S/C14H17N3O4/c1-19-13-3-2-9(7-15-13)6-12-16-14(21-17-12)10-8-20-5-4-11(10)18/h2-3,7,10-11,18H,4-6,8H2,1H3
InChIKeyYMJVRYHEHNEUCN-UHFFFAOYSA-N
XLogP0.93
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol with MolForge

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Related Compounds

2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525840
(5S)-5-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911407
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474101
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474109
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474127
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474163
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474173) is 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol is COc1ccc(Cc2noc(C3COCCC3O)n2)cn1.
What is the InChIKey of 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is YMJVRYHEHNEUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-19-13-3-2-9(7-15-13)6-12-16-14(21-17-12)10-8-20-5-4-11(10)18/h2-3,7,10-11,18H,4-6,8H2,1H3.
What are the key properties of 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 291.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).