tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate

C25H38N2O4 — CID 67983186

IUPACtert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(OCc1c(C3CCCCC3)noc1C1CC1)C2
InChIInChI=1S/C25H38N2O4/c1-25(2,3)30-24(28)27-18-11-12-19(27)14-20(13-18)29-15-21-22(16-7-5-4-6-8-16)26-31-23(21)17-9-10-17/h16-20H,4-15H2,1-3H3
InChIKeyAOSKTTCCMBUQAB-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.05
Rot. Bonds5

About tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 67983186) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID67983186
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Nametert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(OCc1c(C3CCCCC3)noc1C1CC1)C2
InChIInChI=1S/C25H38N2O4/c1-25(2,3)30-24(28)27-18-11-12-19(27)14-20(13-18)29-15-21-22(16-7-5-4-6-8-16)26-31-23(21)17-9-10-17/h16-20H,4-15H2,1-3H3
InChIKeyAOSKTTCCMBUQAB-UHFFFAOYSA-N
XLogP6.05
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 67983186) is tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(OCc1c(C3CCCCC3)noc1C1CC1)C2.
What is the InChIKey of tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is AOSKTTCCMBUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O4/c1-25(2,3)30-24(28)27-18-11-12-19(27)14-20(13-18)29-15-21-22(16-7-5-4-6-8-16)26-31-23(21)17-9-10-17/h16-20H,4-15H2,1-3H3.
What are the key properties of tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 430.59 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-cyclohexyl-5-cyclopropyl-1,2-oxazol-4-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 67983186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).