4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one

C19H22N4O4 — CID 154849837

IUPAC4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nnc(-c2cccc(C(=O)N3CCC4(CC3)CC(O)CNC4=O)c2)o1
InChIInChI=1S/C19H22N4O4/c1-12-21-22-16(27-12)13-3-2-4-14(9-13)17(25)23-7-5-19(6-8-23)10-15(24)11-20-18(19)26/h2-4,9,15,24H,5-8,10-11H2,1H3,(H,20,26)
InChIKeyPHHDGKGHBBMHER-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.15
Rot. Bonds2

About 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one

4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 154849837) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID154849837
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nnc(-c2cccc(C(=O)N3CCC4(CC3)CC(O)CNC4=O)c2)o1
InChIInChI=1S/C19H22N4O4/c1-12-21-22-16(27-12)13-3-2-4-14(9-13)17(25)23-7-5-19(6-8-23)10-15(24)11-20-18(19)26/h2-4,9,15,24H,5-8,10-11H2,1H3,(H,20,26)
InChIKeyPHHDGKGHBBMHER-UHFFFAOYSA-N
XLogP1.15
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
CID 156608184
4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 170509540
4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 136566068
(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 164640929
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
6-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514764
[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125175152
3H-benzimidazol-5-yl-[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 67344805
2-amino-8-[3-[6-(methylamino)pyridazin-3-yl]benzoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122558758
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 154849837) is 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1nnc(-c2cccc(C(=O)N3CCC4(CC3)CC(O)CNC4=O)c2)o1.
What is the InChIKey of 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is PHHDGKGHBBMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-21-22-16(27-12)13-3-2-4-14(9-13)17(25)23-7-5-19(6-8-23)10-15(24)11-20-18(19)26/h2-4,9,15,24H,5-8,10-11H2,1H3,(H,20,26).
What are the key properties of 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one?
4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 370.41 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 154849837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).