tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H31N3O3 — CID 75431524

IUPACtert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCc1cnc(CN(C)C2CC3CCC(C2)N3C(=O)OC(C)(C)C)o1
InChIInChI=1S/C19H31N3O3/c1-6-16-11-20-17(24-16)12-21(5)15-9-13-7-8-14(10-15)22(13)18(23)25-19(2,3)4/h11,13-15H,6-10,12H2,1-5H3
InChIKeyVGDWDZGGGZWPGP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 75431524) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID75431524
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCc1cnc(CN(C)C2CC3CCC(C2)N3C(=O)OC(C)(C)C)o1
InChIInChI=1S/C19H31N3O3/c1-6-16-11-20-17(24-16)12-21(5)15-9-13-7-8-14(10-15)22(13)18(23)25-19(2,3)4/h11,13-15H,6-10,12H2,1-5H3
InChIKeyVGDWDZGGGZWPGP-UHFFFAOYSA-N
XLogP3.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75387475
tert-butyl 3-[methyl(oxan-4-ylmethyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 102560556
tert-butyl (1S,5R)-3-[(5-bromo-6-methoxycarbonyl-2-pyridinyl)-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175900446
tert-butyl 3-[3-(2-methoxyphenoxy)propanoyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171949361
tert-butyl 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CID 86803871
tert-butyl 3-[(2-ethylphenyl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113239400
tert-butyl 3-(dimethylcarbamoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118450572
tert-butyl (1R,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043302
tert-butyl (1R,5S)-3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138623951
tert-butyl 3-[cyclohexyl(diethylcarbamoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68828193
tert-butyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10859827
tert-butyl 3-[2-(2,3,6-trifluorophenyl)acetyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941437

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 75431524) is tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCc1cnc(CN(C)C2CC3CCC(C2)N3C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is VGDWDZGGGZWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-16-11-20-17(24-16)12-21(5)15-9-13-7-8-14(10-15)22(13)18(23)25-19(2,3)4/h11,13-15H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 75431524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).