[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone

C17H21F3N4O2 — CID 167524595

IUPAC[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone
SMILESCC(n1cnc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C)C2)c1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c1-9(17(18,19)20)24-7-13(21-8-24)15(25)23-5-10-11(6-23)14(10)12-4-16(2,3)26-22-12/h7-11,14H,4-6H2,1-3H3
InChIKeyTUZBNSGQDAGILF-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.88
Rot. Bonds3

About [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone

[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone (PubChem CID 167524595) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone
PubChem CID167524595
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone
SMILESCC(n1cnc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C)C2)c1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O2/c1-9(17(18,19)20)24-7-13(21-8-24)15(25)23-5-10-11(6-23)14(10)12-4-16(2,3)26-22-12/h7-11,14H,4-6H2,1-3H3
InChIKeyTUZBNSGQDAGILF-UHFFFAOYSA-N
XLogP2.88
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone?
The IUPAC name of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone (CID 167524595) is [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone.
What is the SMILES notation for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone?
The canonical SMILES for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone is CC(n1cnc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C)C2)c1)C(F)(F)F.
What is the InChIKey of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone?
The InChIKey is TUZBNSGQDAGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-9(17(18,19)20)24-7-13(21-8-24)15(25)23-5-10-11(6-23)14(10)12-4-16(2,3)26-22-12/h7-11,14H,4-6H2,1-3H3.
What are the key properties of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone?
[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone has a molecular weight of 370.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1,1,1-trifluoropropan-2-yl)imidazol-4-yl]methanone is sourced from PubChem (CID 167524595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).