tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C15H23N3O3 — CID 23056730

IUPACtert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCc1noc(C2=CC(C)CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H23N3O3/c1-6-12-16-13(21-17-12)11-7-10(2)8-18(9-11)14(19)20-15(3,4)5/h7,10H,6,8-9H2,1-5H3
InChIKeyHEECIBZFSWASLH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 23056730) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID23056730
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCc1noc(C2=CC(C)CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H23N3O3/c1-6-12-16-13(21-17-12)11-7-10(2)8-18(9-11)14(19)20-15(3,4)5/h7,10H,6,8-9H2,1-5H3
InChIKeyHEECIBZFSWASLH-UHFFFAOYSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[N'-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111100338
tert-butyl 4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137026124
tert-butyl 4-[[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127589
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132
tert-butyl (3S)-3-methyl-5-sulfanylidenepiperazine-1-carboxylate
CID 149061664
tert-butyl 4-[[5-(3-amino-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127586
tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 58022723
tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520473
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl (2S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 139500195
tert-butyl 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 176515577
tert-butyl (3S,5R)-3,5-dimethyl-4-(pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 100617259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 23056730) is tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCc1noc(C2=CC(C)CN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HEECIBZFSWASLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-6-12-16-13(21-17-12)11-7-10(2)8-18(9-11)14(19)20-15(3,4)5/h7,10H,6,8-9H2,1-5H3.
What are the key properties of tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 23056730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).