1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide

C12H16N4O2 — CID 113253187

IUPAC1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2ncno2)CCCCC1
InChIInChI=1S/C12H16N4O2/c13-8-12(5-2-1-3-6-12)11(17)14-7-4-10-15-9-16-18-10/h9H,1-7H2,(H,14,17)
InChIKeyIKKAQTLPVUSNNK-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.20
Rot. Bonds4

About 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 113253187) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID113253187
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2ncno2)CCCCC1
InChIInChI=1S/C12H16N4O2/c13-8-12(5-2-1-3-6-12)11(17)14-7-4-10-15-9-16-18-10/h9H,1-7H2,(H,14,17)
InChIKeyIKKAQTLPVUSNNK-UHFFFAOYSA-N
XLogP1.20
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 64531164
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114183577
1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106399582
1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
CID 113330028
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 103939777
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
4-carbamothioyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106399302
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 113253187) is 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCCc2ncno2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is IKKAQTLPVUSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-8-12(5-2-1-3-6-12)11(17)14-7-4-10-15-9-16-18-10/h9H,1-7H2,(H,14,17).
What are the key properties of 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113253187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).