tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C15H20F2N2O3 — CID 175855315

IUPACtert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1c(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)noc1C(F)F
InChIInChI=1S/C15H20F2N2O3/c1-7-11(18-22-12(7)13(16)17)10-8-5-19(6-9(8)10)14(20)21-15(2,3)4/h8-10,13H,5-6H2,1-4H3/t8-,9+,10?
InChIKeyMQUUTPMQYQUTPE-ULKQDVFKSA-N
MW314.33 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 175855315) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID175855315
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1c(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)noc1C(F)F
InChIInChI=1S/C15H20F2N2O3/c1-7-11(18-22-12(7)13(16)17)10-8-5-19(6-9(8)10)14(20)21-15(2,3)4/h8-10,13H,5-6H2,1-4H3/t8-,9+,10?
InChIKeyMQUUTPMQYQUTPE-ULKQDVFKSA-N
XLogP3.50
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-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 (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 175855315) is tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1c(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)noc1C(F)F.
What is the InChIKey of tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is MQUUTPMQYQUTPE-ULKQDVFKSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-7-11(18-22-12(7)13(16)17)10-8-5-19(6-9(8)10)14(20)21-15(2,3)4/h8-10,13H,5-6H2,1-4H3/t8-,9+,10?.
What are the key properties of tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 175855315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).