[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate

C20H20N2O6 — CID 7726302

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2nnc(-c3ccco3)o2)ccc1OC(C)C
InChIInChI=1S/C20H20N2O6/c1-13(2)27-15-8-6-14(11-17(15)24-3)7-9-19(23)26-12-18-21-22-20(28-18)16-5-4-10-25-16/h4-11,13H,12H2,1-3H3/b9-7+
InChIKeyFUHWLLSUZSHKKS-VQHVLOKHSA-N
MW384.39 g/mol
LogP3.88
Rot. Bonds8

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate (PubChem CID 7726302) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
PubChem CID7726302
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2nnc(-c3ccco3)o2)ccc1OC(C)C
InChIInChI=1S/C20H20N2O6/c1-13(2)27-15-8-6-14(11-17(15)24-3)7-9-19(23)26-12-18-21-22-20(28-18)16-5-4-10-25-16/h4-11,13H,12H2,1-3H3/b9-7+
InChIKeyFUHWLLSUZSHKKS-VQHVLOKHSA-N
XLogP3.88
TPSA96.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996471
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 32738933
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726363
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 7972028
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate
CID 7726665
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 8564710
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 8602952
3-(3,4-dimethoxyphenyl)-1-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 75120247
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726830

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate (CID 7726302) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)OCc2nnc(-c3ccco3)o2)ccc1OC(C)C.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is FUHWLLSUZSHKKS-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-13(2)27-15-8-6-14(11-17(15)24-3)7-9-19(23)26-12-18-21-22-20(28-18)16-5-4-10-25-16/h4-11,13H,12H2,1-3H3/b9-7+.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 384.39 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 7726302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).