(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one

C18H21FN4O2 — CID 178127938

IUPAC(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CC2(CC2)C[C@@H]1C
InChIInChI=1S/C18H21FN4O2/c1-11-9-18(7-8-18)10-23(11)16(24)12(2)20-17-22-21-15(25-17)13-3-5-14(19)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)/t11-,12+/m0/s1
InChIKeyVTCBHYHGIPVORG-NWDGAFQWSA-N
MW344.39 g/mol
LogP3.08
Rot. Bonds4

About (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one

(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one (PubChem CID 178127938) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one
PubChem CID178127938
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CC2(CC2)C[C@@H]1C
InChIInChI=1S/C18H21FN4O2/c1-11-9-18(7-8-18)10-23(11)16(24)12(2)20-17-22-21-15(25-17)13-3-5-14(19)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)/t11-,12+/m0/s1
InChIKeyVTCBHYHGIPVORG-NWDGAFQWSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-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-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one (CID 178127938) is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one is C[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CC2(CC2)C[C@@H]1C.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one?
The InChIKey is VTCBHYHGIPVORG-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-9-18(7-8-18)10-23(11)16(24)12(2)20-17-22-21-15(25-17)13-3-5-14(19)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one?
(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one has a molecular weight of 344.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one is sourced from PubChem (CID 178127938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).