4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide

C20H19N3O3S — CID 175436481

IUPAC4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCOc1cccc(C2=CCC(C(=O)Nc3nnc(-c4cccs4)o3)CC2)c1
InChIInChI=1S/C20H19N3O3S/c1-25-16-5-2-4-15(12-16)13-7-9-14(10-8-13)18(24)21-20-23-22-19(26-20)17-6-3-11-27-17/h2-7,11-12,14H,8-10H2,1H3,(H,21,23,24)
InChIKeyBUELOVWGXSWSQA-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.63
Rot. Bonds5

About 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide

4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 175436481) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID175436481
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCOc1cccc(C2=CCC(C(=O)Nc3nnc(-c4cccs4)o3)CC2)c1
InChIInChI=1S/C20H19N3O3S/c1-25-16-5-2-4-15(12-16)13-7-9-14(10-8-13)18(24)21-20-23-22-19(26-20)17-6-3-11-27-17/h2-7,11-12,14H,8-10H2,1H3,(H,21,23,24)
InChIKeyBUELOVWGXSWSQA-UHFFFAOYSA-N
XLogP4.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide (CID 175436481) is 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide is COc1cccc(C2=CCC(C(=O)Nc3nnc(-c4cccs4)o3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is BUELOVWGXSWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-16-5-2-4-15(12-16)13-7-9-14(10-8-13)18(24)21-20-23-22-19(26-20)17-6-3-11-27-17/h2-7,11-12,14H,8-10H2,1H3,(H,21,23,24).
What are the key properties of 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 175436481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).