tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C17H25NO4 — CID 11324262

IUPACtert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-5-14(19)15-18(16(20)22-17(2,3)4)13(11-21-15)12-9-7-6-8-10-12/h6-10,13-15,19H,5,11H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyUPBHCWJWHGJMJQ-ILXRZTDVSA-N
MW307.39 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11324262) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID11324262
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-5-14(19)15-18(16(20)22-17(2,3)4)13(11-21-15)12-9-7-6-8-10-12/h6-10,13-15,19H,5,11H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyUPBHCWJWHGJMJQ-ILXRZTDVSA-N
XLogP3.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 11324262) is tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is CC[C@H](O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UPBHCWJWHGJMJQ-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-14(19)15-18(16(20)22-17(2,3)4)13(11-21-15)12-9-7-6-8-10-12/h6-10,13-15,19H,5,11H2,1-4H3/t13-,14+,15+/m1/s1.
What are the key properties of tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[(1S)-1-hydroxypropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11324262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).