tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C16H24FN3O3 — CID 142558784

IUPACtert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccc(NN)c(F)c2)COC1(C)C
InChIInChI=1S/C16H24FN3O3/c1-15(2,3)23-14(21)20-13(9-22-16(20,4)5)10-6-7-12(19-18)11(17)8-10/h6-8,13,19H,9,18H2,1-5H3
InChIKeyJGSOMBONACFQLF-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 142558784) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID142558784
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccc(NN)c(F)c2)COC1(C)C
InChIInChI=1S/C16H24FN3O3/c1-15(2,3)23-14(21)20-13(9-22-16(20,4)5)10-6-7-12(19-18)11(17)8-10/h6-8,13,19H,9,18H2,1-5H3
InChIKeyJGSOMBONACFQLF-UHFFFAOYSA-N
XLogP3.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4S)-4-(4-chloro-3-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138552439
tert-butyl (4S)-4-(3-bromo-4-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138552116
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
tert-butyl (4S)-4-(4-hydroxyphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 130408299
tert-butyl (4S)-4-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67151646
tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 164875432
tert-butyl 4-(4-chloro-3-ethenylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175019811
tert-butyl 4-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175020070
tert-butyl (4R)-2,2-dimethyl-4-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-oxazolidine-3-carboxylate
CID 10427737
tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate
CID 164875447
2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 11954900
tert-butyl 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87546265

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 142558784) is tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(c2ccc(NN)c(F)c2)COC1(C)C.
What is the InChIKey of tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JGSOMBONACFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-15(2,3)23-14(21)20-13(9-22-16(20,4)5)10-6-7-12(19-18)11(17)8-10/h6-8,13,19H,9,18H2,1-5H3.
What are the key properties of tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluoro-4-hydrazinylphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 142558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).