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

C14H17N3O2S — CID 42110008

IUPACN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,17,18)
InChIKeyQFXWCHHPNYZCFZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.24
Rot. Bonds4

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

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 42110008) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID42110008
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,17,18)
InChIKeyQFXWCHHPNYZCFZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 42110008) is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(Cc2cccs2)o1)C1CCCCC1.
What is the InChIKey of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is QFXWCHHPNYZCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,17,18).
What are the key properties of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42110008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).