[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate

C21H23NO6 — CID 16564672

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1OCCC(C)C
InChIInChI=1S/C21H23NO6/c1-14(2)8-10-26-18-7-6-15(11-19(18)24-3)21(23)27-13-16-12-20(28-22-16)17-5-4-9-25-17/h4-7,9,11-12,14H,8,10,13H2,1-3H3
InChIKeyWZPBOWMUKZPOMC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.73
Rot. Bonds9

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate (PubChem CID 16564672) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
PubChem CID16564672
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1OCCC(C)C
InChIInChI=1S/C21H23NO6/c1-14(2)8-10-26-18-7-6-15(11-19(18)24-3)21(23)27-13-16-12-20(28-22-16)17-5-4-9-25-17/h4-7,9,11-12,14H,8,10,13H2,1-3H3
InChIKeyWZPBOWMUKZPOMC-UHFFFAOYSA-N
XLogP4.73
TPSA83.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 36758356
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644249
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 9125316
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019172
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
CID 32757862
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 18285399
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 51485366

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate (CID 16564672) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate is COc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1OCCC(C)C.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate?
The InChIKey is WZPBOWMUKZPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-14(2)8-10-26-18-7-6-15(11-19(18)24-3)21(23)27-13-16-12-20(28-22-16)17-5-4-9-25-17/h4-7,9,11-12,14H,8,10,13H2,1-3H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate is sourced from PubChem (CID 16564672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).