[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C24H25FN2O6 — CID 55542549

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C24H25FN2O6/c1-24(2,3)23(29)27-18-11-20(31-5)19(30-4)10-17(18)22(28)33-13-16-12-32-21(26-16)14-6-8-15(25)9-7-14/h6-12H,13H2,1-5H3,(H,27,29)
InChIKeyVEMFEANGGBWKIE-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.84
Rot. Bonds7

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 55542549) has the molecular formula C24H25FN2O6 and a molecular weight of 456.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID55542549
Molecular FormulaC24H25FN2O6
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C24H25FN2O6/c1-24(2,3)23(29)27-18-11-20(31-5)19(30-4)10-17(18)22(28)33-13-16-12-32-21(26-16)14-6-8-15(25)9-7-14/h6-12H,13H2,1-5H3,(H,27,29)
InChIKeyVEMFEANGGBWKIE-UHFFFAOYSA-N
XLogP4.84
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate with MolForge

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 24657692
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577350
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 55543502
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 31700030
1-(3,4-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097097

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 55542549) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is VEMFEANGGBWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O6/c1-24(2,3)23(29)27-18-11-20(31-5)19(30-4)10-17(18)22(28)33-13-16-12-32-21(26-16)14-6-8-15(25)9-7-14/h6-12H,13H2,1-5H3,(H,27,29).
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 456.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 55542549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).