(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one

C18H23FN4O3 — CID 178127816

IUPAC(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one
SMILESCC(C)O[C@H]1CN(C(=O)[C@@H](C)Nc2nnc(-c3ccc(F)cc3)o2)[C@H]1C
InChIInChI=1S/C18H23FN4O3/c1-10(2)25-15-9-23(12(15)4)17(24)11(3)20-18-22-21-16(26-18)13-5-7-14(19)8-6-13/h5-8,10-12,15H,9H2,1-4H3,(H,20,22)/t11-,12+,15+/m1/s1
InChIKeyQPHCPUPODMZLBC-XUJVJEKNSA-N
MW362.41 g/mol
LogP2.70
Rot. Bonds6

About (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one

(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one (PubChem CID 178127816) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one
PubChem CID178127816
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one
SMILESCC(C)O[C@H]1CN(C(=O)[C@@H](C)Nc2nnc(-c3ccc(F)cc3)o2)[C@H]1C
InChIInChI=1S/C18H23FN4O3/c1-10(2)25-15-9-23(12(15)4)17(24)11(3)20-18-22-21-16(26-18)13-5-7-14(19)8-6-13/h5-8,10-12,15H,9H2,1-4H3,(H,20,22)/t11-,12+,15+/m1/s1
InChIKeyQPHCPUPODMZLBC-XUJVJEKNSA-N
XLogP2.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one (CID 178127816) is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one is CC(C)O[C@H]1CN(C(=O)[C@@H](C)Nc2nnc(-c3ccc(F)cc3)o2)[C@H]1C.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one?
The InChIKey is QPHCPUPODMZLBC-XUJVJEKNSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-10(2)25-15-9-23(12(15)4)17(24)11(3)20-18-22-21-16(26-18)13-5-7-14(19)8-6-13/h5-8,10-12,15H,9H2,1-4H3,(H,20,22)/t11-,12+,15+/m1/s1.
What are the key properties of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one?
(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one has a molecular weight of 362.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,3S)-2-methyl-3-propan-2-yloxyazetidin-1-yl]propan-1-one is sourced from PubChem (CID 178127816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).