tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H26FNO4 — CID 57215079

IUPACtert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1c1cccc(F)c1
InChIInChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-15(12-8-7-9-13(19)10-12)14(11-22-6)23-18(20,4)5/h7-10,14-15H,11H2,1-6H3
InChIKeyBTNYOSQBIDWKNN-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57215079) has the molecular formula C18H26FNO4 and a molecular weight of 339.41 g/mol. Its IUPAC name is tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID57215079
Molecular FormulaC18H26FNO4
Molecular Weight339.41 g/mol
Exact Mass339.18
IUPAC Nametert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1c1cccc(F)c1
InChIInChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-15(12-8-7-9-13(19)10-12)14(11-22-6)23-18(20,4)5/h7-10,14-15H,11H2,1-6H3
InChIKeyBTNYOSQBIDWKNN-UHFFFAOYSA-N
XLogP3.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
tert-butyl (4S)-2,2-dioxo-4-phenyl-1,2lambda6,3-oxathiazolidine-3-carboxylate
CID 11243499
(R)-tert-Butyl 4-phenyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
CID 71739311
3,4-Piperidinediol, 1,3-dimethyl-6-(2-fluorophenyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051064
(S,Z)-3-(5-(4-fluorophenyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 49840895
tert-butyl (S)-2-((ethoxycarbonyl)methoxy)-1-(3-fluorophenyl)ethylcarbamate
CID 70846803
methyl (2S,3S)-2-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 11310975
3-[1-(4-Fluorophenyl)ethyl]-1,3-oxazolidin-2-one
CID 85872481
2-methylpropyl (2S,3S,4R)-2-(4-fluorophenyl)-3,4-dihydroxypiperidine-1-carboxylate
CID 132520306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 57215079) is tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1c1cccc(F)c1.
What is the InChIKey of tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BTNYOSQBIDWKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO4/c1-17(2,3)24-16(21)20-15(12-8-7-9-13(19)10-12)14(11-22-6)23-18(20,4)5/h7-10,14-15H,11H2,1-6H3.
What are the key properties of tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57215079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).