4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one

C22H24N2O4 — CID 169413605

IUPAC4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCc3oc(Cc4ccccc4)nc3C2)C2(CCCC2)O1
InChIInChI=1S/C22H24N2O4/c25-20-13-16(22(28-20)9-4-5-10-22)21(26)24-11-8-18-17(14-24)23-19(27-18)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyGNPMSCHXMCDHLG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.03
Rot. Bonds3

About 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one

4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 169413605) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID169413605
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCc3oc(Cc4ccccc4)nc3C2)C2(CCCC2)O1
InChIInChI=1S/C22H24N2O4/c25-20-13-16(22(28-20)9-4-5-10-22)21(26)24-11-8-18-17(14-24)23-19(27-18)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyGNPMSCHXMCDHLG-UHFFFAOYSA-N
XLogP3.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 170512642
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 169411306
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 171907629
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 170512212
1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
CID 170511763
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 169414628
3-(benzenesulfonyl)-1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169416689
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 170510904
2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,6-dimethylpyridin-4-one
CID 170507208
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004
2,3-dimethyl-7-[(4R)-2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 125175392

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one (CID 169413605) is 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCc3oc(Cc4ccccc4)nc3C2)C2(CCCC2)O1.
What is the InChIKey of 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is GNPMSCHXMCDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20-13-16(22(28-20)9-4-5-10-22)21(26)24-11-8-18-17(14-24)23-19(27-18)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 169413605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).