N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

C13H15N3O3 — CID 5147586

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)C1CCCCC1
InChIInChI=1S/C13H15N3O3/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyKSNJKWDFGMLPBJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.85
Rot. Bonds3

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 5147586) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID5147586
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)C1CCCCC1
InChIInChI=1S/C13H15N3O3/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyKSNJKWDFGMLPBJ-UHFFFAOYSA-N
XLogP2.85
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 202185
4-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5223276
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 2566808
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
CID 4062264
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 4154351
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cyclopropanecarboxamide
CID 4536914
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 4581041
4-cyano-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083852
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cinnamamide
CID 6265754
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
CID 7814111
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-methylbenzamide
CID 4462598
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4245856

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 5147586) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccco2)o1)C1CCCCC1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is KSNJKWDFGMLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 261.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 5147586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).