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

C12H19N3O4 — CID 97184598

IUPACtert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
SMILESCc1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H19N3O4/c1-8-13-10(14-19-8)9-7-17-6-5-15(9)11(16)18-12(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyYYAUVDXEGNLBEP-SECBINFHSA-N
MW269.30 g/mol
LogP1.69
Rot. Bonds1

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

tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate (PubChem CID 97184598) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
PubChem CID97184598
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
SMILESCc1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H19N3O4/c1-8-13-10(14-19-8)9-7-17-6-5-15(9)11(16)18-12(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyYYAUVDXEGNLBEP-SECBINFHSA-N
XLogP1.69
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate (CID 97184598) is tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate is Cc1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate?
The InChIKey is YYAUVDXEGNLBEP-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8-13-10(14-19-8)9-7-17-6-5-15(9)11(16)18-12(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate?
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.69, 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-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate is sourced from PubChem (CID 97184598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).