tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate

C11H17N3O4 — CID 124709726

IUPACtert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1c1ncno1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)17-10(15)14-4-5-16-6-8(14)9-12-7-13-18-9/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyNZCZEDNOGCFLER-QMMMGPOBSA-N
MW255.27 g/mol
LogP1.38
Rot. Bonds1

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

tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate (PubChem CID 124709726) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
PubChem CID124709726
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nametert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1c1ncno1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)17-10(15)14-4-5-16-6-8(14)9-12-7-13-18-9/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyNZCZEDNOGCFLER-QMMMGPOBSA-N
XLogP1.38
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
tert-butyl (3R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 59450054
tert-butyl (3S)-3-(4-amino-2-chlorophenyl)morpholine-4-carboxylate
CID 172748859
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654
2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118540100
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate (CID 124709726) is tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1c1ncno1.
What is the InChIKey of tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate?
The InChIKey is NZCZEDNOGCFLER-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)17-10(15)14-4-5-16-6-8(14)9-12-7-13-18-9/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate?
tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate is sourced from PubChem (CID 124709726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).