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

C13H14ClN3O2S — CID 5109405

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1
InChIInChI=1S/C13H14ClN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17,18)
InChIKeyKHDPTAWREFUMOD-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.97
Rot. Bonds3

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

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 5109405) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID5109405
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1
InChIInChI=1S/C13H14ClN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17,18)
InChIKeyKHDPTAWREFUMOD-UHFFFAOYSA-N
XLogP3.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 5109405) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is KHDPTAWREFUMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17,18).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 311.79 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 5109405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).