tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate

C18H22N2O4 — CID 124564337

IUPACtert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)23-17(21)20-9-10-22-16(12-20)15-11-14(19-24-15)13-7-5-4-6-8-13/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyUNPCSCANWTUMBO-MRXNPFEDSA-N
MW330.38 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate

tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate (PubChem CID 124564337) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
PubChem CID124564337
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)23-17(21)20-9-10-22-16(12-20)15-11-14(19-24-15)13-7-5-4-6-8-13/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyUNPCSCANWTUMBO-MRXNPFEDSA-N
XLogP3.65
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
CID 118485004
tert-butyl 2-[5-(2-oxo-1,3-dihydrobenzimidazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
CID 154842409
tert-butyl (3R,4S)-3-[cyclopropyl-[(2,3-dimethylphenyl)methyl]carbamoyl]-4-(3-phenyl-1,2-oxazol-5-yl)piperidine-1-carboxylate
CID 58005635
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
CID 152901440

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate (CID 124564337) is tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The InChIKey is UNPCSCANWTUMBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,3)23-17(21)20-9-10-22-16(12-20)15-11-14(19-24-15)13-7-5-4-6-8-13/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate is sourced from PubChem (CID 124564337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).