5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C21H19N3O4 — CID 53081245

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1
InChIInChI=1S/C21H19N3O4/c1-12-4-9-17-16(10-12)13(2)18(27-17)20-23-24-21(28-20)19(25)22-11-14-5-7-15(26-3)8-6-14/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeyYCFBAVVLRZFZDT-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.04
Rot. Bonds5

About 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53081245) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53081245
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1
InChIInChI=1S/C21H19N3O4/c1-12-4-9-17-16(10-12)13(2)18(27-17)20-23-24-21(28-20)19(25)22-11-14-5-7-15(26-3)8-6-14/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeyYCFBAVVLRZFZDT-UHFFFAOYSA-N
XLogP4.04
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081278
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 53007246
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081250
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104944
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide
CID 67797208
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[2-(4-chlorophenyl)ethyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104986
N-[(4-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130500
N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53126253
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 53081245) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YCFBAVVLRZFZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12-4-9-17-16(10-12)13(2)18(27-17)20-23-24-21(28-20)19(25)22-11-14-5-7-15(26-3)8-6-14/h4-10H,11H2,1-3H3,(H,22,25).
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).