2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C18H20F2N4O2 — CID 175398398

IUPAC2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nnc(N2CCC3(CCN(Cc4cc(F)ccc4F)C3=O)CC2)o1
InChIInChI=1S/C18H20F2N4O2/c1-12-21-22-17(26-12)23-7-4-18(5-8-23)6-9-24(16(18)25)11-13-10-14(19)2-3-15(13)20/h2-3,10H,4-9,11H2,1H3
InChIKeyBXDKEAJHIPFDJF-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175398398) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175398398
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nnc(N2CCC3(CCN(Cc4cc(F)ccc4F)C3=O)CC2)o1
InChIInChI=1S/C18H20F2N4O2/c1-12-21-22-17(26-12)23-7-4-18(5-8-23)6-9-24(16(18)25)11-13-10-14(19)2-3-15(13)20/h2-3,10H,4-9,11H2,1H3
InChIKeyBXDKEAJHIPFDJF-UHFFFAOYSA-N
XLogP2.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 175398398) is 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nnc(N2CCC3(CCN(Cc4cc(F)ccc4F)C3=O)CC2)o1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BXDKEAJHIPFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-12-21-22-17(26-12)23-7-4-18(5-8-23)6-9-24(16(18)25)11-13-10-14(19)2-3-15(13)20/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 362.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175398398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).