4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile

C14H14N4O3 — CID 99151345

IUPAC4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile
SMILESCOc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cn1
InChIInChI=1S/C14H14N4O3/c1-19-11-3-2-10(8-16-11)12-17-13(21-18-12)14(9-15)4-6-20-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyGTLANQMICQCKKX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.71
Rot. Bonds3

About 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile

4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile (PubChem CID 99151345) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile
PubChem CID99151345
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile
SMILESCOc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cn1
InChIInChI=1S/C14H14N4O3/c1-19-11-3-2-10(8-16-11)12-17-13(21-18-12)14(9-15)4-6-20-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyGTLANQMICQCKKX-UHFFFAOYSA-N
XLogP1.71
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile?
The IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile (CID 99151345) is 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile?
The canonical SMILES for 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile is COc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cn1.
What is the InChIKey of 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile?
The InChIKey is GTLANQMICQCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-19-11-3-2-10(8-16-11)12-17-13(21-18-12)14(9-15)4-6-20-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile?
4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile has a molecular weight of 286.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile is sourced from PubChem (CID 99151345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).