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

C15H29NO4 — CID 14189437

IUPACtert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCC(O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h11-12,17H,7-10H2,1-6H3
InChIKeyTWGRFOQYBQNING-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.91
Rot. Bonds4

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

tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 14189437) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID14189437
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCC(O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h11-12,17H,7-10H2,1-6H3
InChIKeyTWGRFOQYBQNING-UHFFFAOYSA-N
XLogP2.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 20648577
rac-tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 39871810
1,1-Dimethylethyl 4-(hydroxymethyl)-2,2,5-trimethyl-3-oxazolidinecarboxylate
CID 43810964
1,1-Dimethylethyl (2S,4S)-2-(hydroxymethyl)-4-methoxy-1-pyrrolidinecarboxylate
CID 58985023
Tert-butyl (2r,4r)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67223196
Tert-butyl 2-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 82393813
rac-tert-butyl (2R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate, trans
CID 86334253
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 90793086
tert-Butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566961
tert-butyl (2R,3R)-2-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 96611497

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 14189437) is tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCCCC(O)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is TWGRFOQYBQNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h11-12,17H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14189437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).