1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile

C15H16N4O2 — CID 126814034

IUPAC1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(c2nc(Cn3ccccc3=O)no2)CCCCC1
InChIInChI=1S/C15H16N4O2/c16-11-15(7-3-1-4-8-15)14-17-12(18-21-14)10-19-9-5-2-6-13(19)20/h2,5-6,9H,1,3-4,7-8,10H2
InChIKeySIPLCHRSEJKAGW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.01
Rot. Bonds3

About 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile

1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile (PubChem CID 126814034) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile
PubChem CID126814034
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(c2nc(Cn3ccccc3=O)no2)CCCCC1
InChIInChI=1S/C15H16N4O2/c16-11-15(7-3-1-4-8-15)14-17-12(18-21-14)10-19-9-5-2-6-13(19)20/h2,5-6,9H,1,3-4,7-8,10H2
InChIKeySIPLCHRSEJKAGW-UHFFFAOYSA-N
XLogP2.01
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile (CID 126814034) is 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile is N#CC1(c2nc(Cn3ccccc3=O)no2)CCCCC1.
What is the InChIKey of 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile?
The InChIKey is SIPLCHRSEJKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-11-15(7-3-1-4-8-15)14-17-12(18-21-14)10-19-9-5-2-6-13(19)20/h2,5-6,9H,1,3-4,7-8,10H2.
What are the key properties of 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile?
1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 126814034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).