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

C13H12N4O2 — CID 106525840

IUPAC2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(Cc2noc(C3CC3C#N)n2)cn1
InChIInChI=1S/C13H12N4O2/c1-18-12-3-2-8(7-15-12)4-11-16-13(19-17-11)10-5-9(10)6-14/h2-3,7,9-10H,4-5H2,1H3
InChIKeyIDWFVGFDIYFCNU-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.69
Rot. Bonds4

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

2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106525840) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106525840
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(Cc2noc(C3CC3C#N)n2)cn1
InChIInChI=1S/C13H12N4O2/c1-18-12-3-2-8(7-15-12)4-11-16-13(19-17-11)10-5-9(10)6-14/h2-3,7,9-10H,4-5H2,1H3
InChIKeyIDWFVGFDIYFCNU-UHFFFAOYSA-N
XLogP1.69
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474173
(5S)-5-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911407
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524565
5-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136701122
2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525348
(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565463
3-[(6-methoxy-3-pyridinyl)methyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597636
4-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685926
(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909543
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366
2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523988

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106525840) is 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is COc1ccc(Cc2noc(C3CC3C#N)n2)cn1.
What is the InChIKey of 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is IDWFVGFDIYFCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-18-12-3-2-8(7-15-12)4-11-16-13(19-17-11)10-5-9(10)6-14/h2-3,7,9-10H,4-5H2,1H3.
What are the key properties of 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106525840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).