[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C17H13F2NO4 — CID 2740791

IUPAC[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H13F2NO4/c1-9-16(10(2)24-20-9)17(21)22-8-12-4-6-15(23-12)13-5-3-11(18)7-14(13)19/h3-7H,8H2,1-2H3
InChIKeyZMYSSYMWEGTWON-UHFFFAOYSA-N
MW333.29 g/mol
LogP4.19
Rot. Bonds4

About [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2740791) has the molecular formula C17H13F2NO4 and a molecular weight of 333.29 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2740791
Molecular FormulaC17H13F2NO4
Molecular Weight333.29 g/mol
Exact Mass333.08
IUPAC Name[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H13F2NO4/c1-9-16(10(2)24-20-9)17(21)22-8-12-4-6-15(23-12)13-5-3-11(18)7-14(13)19/h3-7H,8H2,1-2H3
InChIKeyZMYSSYMWEGTWON-UHFFFAOYSA-N
XLogP4.19
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(2-furyl)-3-methyl-4-isoxazolecarboxylate
CID 2818509
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2570598
Ethyl 5-(5-bromo-2-furyl)-3-methylisoxazole-4-carboxylate
CID 2818510
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
Ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
CID 1403742
Ethyl 5-(5-(2-hydroxy-4-methoxy-5-propylphenyl)-3-methylisoxazol-4-yl)furan-2-carboxylate
CID 1547805
Propyl 5-(5-(2-hydroxy-4-methoxyphenyl)-3-methylisoxazol-4-yl)furan-2-carboxylate
CID 2303154
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2442775
Ethyl 5-[5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]furan-2-carboxylate
CID 3296221
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 8850722
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate
CID 2433828

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2740791) is [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCc1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZMYSSYMWEGTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4/c1-9-16(10(2)24-20-9)17(21)22-8-12-4-6-15(23-12)13-5-3-11(18)7-14(13)19/h3-7H,8H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 333.29 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)furan-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2740791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).