5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide

C20H24N4O4 — CID 53081250

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc2oc(-c3nnc(C(=O)NCCCN4CCOCC4)o3)c(C)c2c1
InChIInChI=1S/C20H24N4O4/c1-13-4-5-16-15(12-13)14(2)17(27-16)19-22-23-20(28-19)18(25)21-6-3-7-24-8-10-26-11-9-24/h4-5,12H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyPFDLATFAVYFHOJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.55
Rot. Bonds6

About 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53081250) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID53081250
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc2oc(-c3nnc(C(=O)NCCCN4CCOCC4)o3)c(C)c2c1
InChIInChI=1S/C20H24N4O4/c1-13-4-5-16-15(12-13)14(2)17(27-16)19-22-23-20(28-19)18(25)21-6-3-7-24-8-10-26-11-9-24/h4-5,12H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyPFDLATFAVYFHOJ-UHFFFAOYSA-N
XLogP2.55
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
N-[2-(azepan-1-yl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104966
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130507
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide (CID 53081250) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccc2oc(-c3nnc(C(=O)NCCCN4CCOCC4)o3)c(C)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PFDLATFAVYFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13-4-5-16-15(12-13)14(2)17(27-16)19-22-23-20(28-19)18(25)21-6-3-7-24-8-10-26-11-9-24/h4-5,12H,3,6-11H2,1-2H3,(H,21,25).
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).