tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H26FNO4 — CID 91042580

IUPACtert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CCC=C(F)CO)COC1(C)C
InChIInChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-12(10-20-15(17,4)5)8-6-7-11(16)9-18/h7,12,18H,6,8-10H2,1-5H3/t12-/m0/s1
InChIKeyKHRHAMCZOHNMCN-LBPRGKRZSA-N
MW303.37 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91042580) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91042580
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Nametert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CCC=C(F)CO)COC1(C)C
InChIInChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-12(10-20-15(17,4)5)8-6-7-11(16)9-18/h7,12,18H,6,8-10H2,1-5H3/t12-/m0/s1
InChIKeyKHRHAMCZOHNMCN-LBPRGKRZSA-N
XLogP2.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
tert-butyl (4R)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638937
tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22298066
tert-butyl (4S)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12072725
tert-butyl (4S)-4-[(Z)-4-fluoro-4-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 58606454
(Z)-2-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-2-en-1-ol
CID 59072751
tert-butyl (4S)-4-[(Z)-4-ethylperoxy-3-fluorobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883069
tert-butyl (4S)-4-[(Z)-3-fluoro-4-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883079
(Z)-2-fluoro-5-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)pent-2-en-1-ol
CID 59888644
tert-butyl 4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60033081
tert-butyl (4S)-4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60083589
(E)-5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid
CID 69416175

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91042580) is tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CCC=C(F)CO)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KHRHAMCZOHNMCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-12(10-20-15(17,4)5)8-6-7-11(16)9-18/h7,12,18H,6,8-10H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91042580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).