(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C18H21FN4O2 — CID 178127862

IUPAC(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCc1ccc(-c2nnc(N[C@H](C)C(=O)N3C[C@@H](F)C4(CC4)C3)o2)cc1
InChIInChI=1S/C18H21FN4O2/c1-11-3-5-13(6-4-11)15-21-22-17(25-15)20-12(2)16(24)23-9-14(19)18(10-23)7-8-18/h3-6,12,14H,7-10H2,1-2H3,(H,20,22)/t12-,14-/m1/s1
InChIKeyNLPSRJGLWBMYRX-TZMCWYRMSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds4

About (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 178127862) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID178127862
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCc1ccc(-c2nnc(N[C@H](C)C(=O)N3C[C@@H](F)C4(CC4)C3)o2)cc1
InChIInChI=1S/C18H21FN4O2/c1-11-3-5-13(6-4-11)15-21-22-17(25-15)20-12(2)16(24)23-9-14(19)18(10-23)7-8-18/h3-6,12,14H,7-10H2,1-2H3,(H,20,22)/t12-,14-/m1/s1
InChIKeyNLPSRJGLWBMYRX-TZMCWYRMSA-N
XLogP2.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 178127862) is (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is Cc1ccc(-c2nnc(N[C@H](C)C(=O)N3C[C@@H](F)C4(CC4)C3)o2)cc1.
What is the InChIKey of (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is NLPSRJGLWBMYRX-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-3-5-13(6-4-11)15-21-22-17(25-15)20-12(2)16(24)23-9-14(19)18(10-23)7-8-18/h3-6,12,14H,7-10H2,1-2H3,(H,20,22)/t12-,14-/m1/s1.
What are the key properties of (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 178127862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).