[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

C19H20F3N3O5S — CID 71246754

IUPAC[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
SMILESCc1nc([C@]23CC2CN(C(=O)c2cc(S(C)(=O)=O)ccc2O[C@H](C)C(F)(F)F)C3)no1
InChIInChI=1S/C19H20F3N3O5S/c1-10(19(20,21)22)29-15-5-4-13(31(3,27)28)6-14(15)16(26)25-8-12-7-18(12,9-25)17-23-11(2)30-24-17/h4-6,10,12H,7-9H2,1-3H3/t10-,12?,18+/m1/s1
InChIKeyKAUQCRQSVBISSY-GXJJLMPOSA-N
MW459.45 g/mol
LogP2.52
Rot. Bonds5

About [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone (PubChem CID 71246754) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
PubChem CID71246754
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC Name[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
SMILESCc1nc([C@]23CC2CN(C(=O)c2cc(S(C)(=O)=O)ccc2O[C@H](C)C(F)(F)F)C3)no1
InChIInChI=1S/C19H20F3N3O5S/c1-10(19(20,21)22)29-15-5-4-13(31(3,27)28)6-14(15)16(26)25-8-12-7-18(12,9-25)17-23-11(2)30-24-17/h4-6,10,12H,7-9H2,1-3H3/t10-,12?,18+/m1/s1
InChIKeyKAUQCRQSVBISSY-GXJJLMPOSA-N
XLogP2.52
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone?
The IUPAC name of [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone (CID 71246754) is [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone.
What is the SMILES notation for [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone?
The canonical SMILES for [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone is Cc1nc([C@]23CC2CN(C(=O)c2cc(S(C)(=O)=O)ccc2O[C@H](C)C(F)(F)F)C3)no1.
What is the InChIKey of [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone?
The InChIKey is KAUQCRQSVBISSY-GXJJLMPOSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c1-10(19(20,21)22)29-15-5-4-13(31(3,27)28)6-14(15)16(26)25-8-12-7-18(12,9-25)17-23-11(2)30-24-17/h4-6,10,12H,7-9H2,1-3H3/t10-,12?,18+/m1/s1.
What are the key properties of [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone?
[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone has a molecular weight of 459.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 71246754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).