1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone

C19H23N3O5 — CID 129015237

IUPAC1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone
SMILES[H]/N=c1\oc(CC)nn1CC(=O)c1cc2c(OCCCC)cc(OC)cc2o1
InChIInChI=1S/C19H23N3O5/c1-4-6-7-25-15-8-12(24-3)9-16-13(15)10-17(26-16)14(23)11-22-19(20)27-18(5-2)21-22/h8-10,20H,4-7,11H2,1-3H3/b20-19-
InChIKeyHRXJKIWGDYYGBM-VXPUYCOJSA-N
MW373.41 g/mol
LogP3.33
Rot. Bonds9

About 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone

1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 129015237) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID129015237
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone
SMILES[H]/N=c1\oc(CC)nn1CC(=O)c1cc2c(OCCCC)cc(OC)cc2o1
InChIInChI=1S/C19H23N3O5/c1-4-6-7-25-15-8-12(24-3)9-16-13(15)10-17(26-16)14(23)11-22-19(20)27-18(5-2)21-22/h8-10,20H,4-7,11H2,1-3H3/b20-19-
InChIKeyHRXJKIWGDYYGBM-VXPUYCOJSA-N
XLogP3.33
TPSA103.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole
CID 129015351
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
3-benzoyl-5,7-dipropoxychromen-2-one;7-methoxy-3-(pyridine-3-carbonyl)chromen-2-one
CID 126481992
3-butoxy-5-methoxybenzoyl chloride
CID 88582217
(7-methoxy-2-oxochromen-4-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080676
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
6-(7-methoxy-2-oxochromen-4-yl)oxyhexyl 2,3-diiodo-2-methylpropanoate
CID 164525124
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone (CID 129015237) is 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone is [H]/N=c1\oc(CC)nn1CC(=O)c1cc2c(OCCCC)cc(OC)cc2o1.
What is the InChIKey of 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is HRXJKIWGDYYGBM-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-6-7-25-15-8-12(24-3)9-16-13(15)10-17(26-16)14(23)11-22-19(20)27-18(5-2)21-22/h8-10,20H,4-7,11H2,1-3H3/b20-19-.
What are the key properties of 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone?
1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 373.41 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-(5-ethyl-2-imino-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 129015237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).