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

C18H22N2O4 — CID 58169952

IUPACtert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(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
InChIKeyUNPCSCANWTUMBO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.65
Rot. Bonds2

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

tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate (PubChem CID 58169952) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
PubChem CID58169952
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(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
InChIKeyUNPCSCANWTUMBO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate (CID 58169952) is tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
The InChIKey is UNPCSCANWTUMBO-UHFFFAOYSA-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.
What are the key properties of tert-butyl 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate?
tert-butyl 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 2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate is sourced from PubChem (CID 58169952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).