N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C18H20FN5O4 — CID 138015842

About N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 138015842) has the molecular formula C18H20FN5O4 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 138015842
• Molecular Formula: C18H20FN5O4
• Molecular Weight: 389.39 g/mol
• Exact Mass: 389.15
• IUPAC Name: N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CC1OC2(CCN(C(=O)NCc3noc(-c4cccc(F)c4)n3)CC2)NC1=O
• InChI: InChI=1S/C18H20FN5O4/c1-11-15(25)22-18(27-11)5-7-24(8-6-18)17(26)20-10-14-21-16(28-23-14)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,26)(H,22,25)
• InChIKey: BKMRJYZEQVGSRB-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.39
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 138015842) is N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is CC1OC2(CCN(C(=O)NCc3noc(-c4cccc(F)c4)n3)CC2)NC1=O.

What is the InChIKey of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is BKMRJYZEQVGSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O4/c1-11-15(25)22-18(27-11)5-7-24(8-6-18)17(26)20-10-14-21-16(28-23-14)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,26)(H,22,25).

What are the key properties of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?

N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 138015842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).