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

C14H17N3O2S — CID 110322276

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-9-12-16-17-14(19-12)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18)
InChIKeySGHKOJMVHBVILC-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.99
Rot. Bonds4

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

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 110322276) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID110322276
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-9-12-16-17-14(19-12)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18)
InChIKeySGHKOJMVHBVILC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide (CID 110322276) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide is O=C(NCc1nnc(-c2cccs2)o1)C1CCCCC1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is SGHKOJMVHBVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(10-5-2-1-3-6-10)15-9-12-16-17-14(19-12)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18).
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.99, 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-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110322276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).