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

C17H26N2O4 — CID 68784832

IUPACtert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1cc(COC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H26N2O4/c1-11-7-12(18-23-11)10-21-15-8-13-5-6-14(9-15)19(13)16(20)22-17(2,3)4/h7,13-15H,5-6,8-10H2,1-4H3/t13-,14+,15?
InChIKeyGODJSZHUWPCNIM-YIONKMFJSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds3

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

tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 68784832) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID68784832
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1cc(COC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H26N2O4/c1-11-7-12(18-23-11)10-21-15-8-13-5-6-14(9-15)19(13)16(20)22-17(2,3)4/h7,13-15H,5-6,8-10H2,1-4H3/t13-,14+,15?
InChIKeyGODJSZHUWPCNIM-YIONKMFJSA-N
XLogP3.43
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 68784832) is tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is Cc1cc(COC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is GODJSZHUWPCNIM-YIONKMFJSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-7-12(18-23-11)10-21-15-8-13-5-6-14(9-15)19(13)16(20)22-17(2,3)4/h7,13-15H,5-6,8-10H2,1-4H3/t13-,14+,15?.
What are the key properties of tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 68784832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).