5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide

C20H19N3O4 — CID 53081317

IUPAC5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)NC(C)Cc3ccco3)o2)oc2c(C)cccc12
InChIInChI=1S/C20H19N3O4/c1-11-6-4-8-15-13(3)17(26-16(11)15)19-22-23-20(27-19)18(24)21-12(2)10-14-7-5-9-25-14/h4-9,12H,10H2,1-3H3,(H,21,24)
InChIKeyNZVYGMSMKNQMSX-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.05
Rot. Bonds5

About 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide

5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53081317) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53081317
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)NC(C)Cc3ccco3)o2)oc2c(C)cccc12
InChIInChI=1S/C20H19N3O4/c1-11-6-4-8-15-13(3)17(26-16(11)15)19-22-23-20(27-19)18(24)21-12(2)10-14-7-5-9-25-14/h4-9,12H,10H2,1-3H3,(H,21,24)
InChIKeyNZVYGMSMKNQMSX-UHFFFAOYSA-N
XLogP4.05
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
CID 53081315
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
CID 93068546
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
N'-[1-(furan-2-yl)propan-2-yl]-N-(2-methylphenyl)oxamide
CID 121084178
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide (CID 53081317) is 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide is Cc1c(-c2nnc(C(=O)NC(C)Cc3ccco3)o2)oc2c(C)cccc12.
What is the InChIKey of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NZVYGMSMKNQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11-6-4-8-15-13(3)17(26-16(11)15)19-22-23-20(27-19)18(24)21-12(2)10-14-7-5-9-25-14/h4-9,12H,10H2,1-3H3,(H,21,24).
What are the key properties of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53081317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).