tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

C17H20FN3O4 — CID 66618582

IUPACtert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H20FN3O4/c1-17(2,3)24-16(22)21-8-9-23-13(10-21)15-19-14(20-25-15)11-4-6-12(18)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyGYLDKFYLDCLWOI-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (PubChem CID 66618582) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
PubChem CID66618582
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Nametert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H20FN3O4/c1-17(2,3)24-16(22)21-8-9-23-13(10-21)15-19-14(20-25-15)11-4-6-12(18)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyGYLDKFYLDCLWOI-UHFFFAOYSA-N
XLogP3.18
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
1-O-tert-butyl 3-O-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl] (3S)-piperidine-1,3-dicarboxylate
CID 33083338
tert-butyl (3R)-3-[3-(4-nonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 154660982
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl (3R)-3-[3-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 154661075
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate
CID 90048132

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (CID 66618582) is tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
The InChIKey is GYLDKFYLDCLWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-17(2,3)24-16(22)21-8-9-23-13(10-21)15-19-14(20-25-15)11-4-6-12(18)7-5-11/h4-7,13H,8-10H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 66618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).