tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate

C14H19NO3 — CID 134948054

IUPACtert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyJSRLSDXSJZDXBI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134948054) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID134948054
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyJSRLSDXSJZDXBI-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
CID 7157228
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 22147363
COX inhibitor, 5a
CID 12444099
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
Ephedroxane
CID 161171
Pyrrolidine, 1-(beta-ethoxyphenethyl)-
CID 99787
1-Methyl-3-phenylpyrrolidin-3-yl propanoate
CID 201073
3-Methyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 3051660

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate (CID 134948054) is tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1c1ccccc1.
What is the InChIKey of tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JSRLSDXSJZDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134948054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).