3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H20F2N4O4 — CID 66901998

IUPAC3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)C3=CC4=CNON4C=C3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N4O4/c22-17-2-1-14(9-18(17)23)12-26-13-21(30-20(26)29)4-7-25(8-5-21)19(28)15-3-6-27-16(10-15)11-24-31-27/h1-3,6,9-11,24H,4-5,7-8,12-13H2
InChIKeyZFXQTELVGCVIJX-UHFFFAOYSA-N
MW430.41 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901998) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901998
Molecular FormulaC21H20F2N4O4
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC Name3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)C3=CC4=CNON4C=C3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N4O4/c22-17-2-1-14(9-18(17)23)12-26-13-21(30-20(26)29)4-7-25(8-5-21)19(28)15-3-6-27-16(10-15)11-24-31-27/h1-3,6,9-11,24H,4-5,7-8,12-13H2
InChIKeyZFXQTELVGCVIJX-UHFFFAOYSA-N
XLogP2.33
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901945
4-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3,3-dimethyl-4-oxobutanoic acid
CID 11992226
5-[[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 15940356
8-[2-(3-chlorophenoxy)acetyl]-3-[(3,4-difluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901759
3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 15942086
3-[(3,4-difluorophenyl)methyl]-8-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901774
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855
4-[[8-(3,4-dichlorobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 66902239
8-(2,3-dimethylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902227
3-[(3-bromophenyl)methyl]-8-(4-propylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992700
(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136
8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992888

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901998) is 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C(=O)C3=CC4=CNON4C=C3)CC2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZFXQTELVGCVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c22-17-2-1-14(9-18(17)23)12-26-13-21(30-20(26)29)4-7-25(8-5-21)19(28)15-3-6-27-16(10-15)11-24-31-27/h1-3,6,9-11,24H,4-5,7-8,12-13H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 430.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-8-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).