(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate

C15H19NO4 — CID 125419541

IUPAC(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)o1
InChIInChI=1S/C15H19NO4/c1-9-6-12(10(2)20-9)13(17)18-7-11-8-19-14(16-11)15(3,4)5/h6,8H,7H2,1-5H3
InChIKeyGAZPFDMIXTVSDH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.54
Rot. Bonds3

About (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate

(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 125419541) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID125419541
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)o1
InChIInChI=1S/C15H19NO4/c1-9-6-12(10(2)20-9)13(17)18-7-11-8-19-14(16-11)15(3,4)5/h6,8H,7H2,1-5H3
InChIKeyGAZPFDMIXTVSDH-UHFFFAOYSA-N
XLogP3.54
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 71971121
3-methylbutyl 2,5-dimethylfuran-3-carboxylate
CID 78832539
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 135787482
[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 7419085
(2-bromo-4,5-dimethoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8939086
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643
[2-[4-[2-(2,5-dimethylfuran-3-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531518
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 16531522
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844551
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2351220

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 125419541) is (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)o1.
What is the InChIKey of (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is GAZPFDMIXTVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-6-12(10(2)20-9)13(17)18-7-11-8-19-14(16-11)15(3,4)5/h6,8H,7H2,1-5H3.
What are the key properties of (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 125419541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).