N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide

C21H24N4O5 — CID 134459694

IUPACN-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3noc(C4CCOCC4)n3)C1=O)C2
InChIInChI=1S/C21H24N4O5/c26-18(23-28)15-3-1-2-14-10-21(11-16(14)15)6-7-25(20(21)27)12-17-22-19(30-24-17)13-4-8-29-9-5-13/h1-3,13,28H,4-12H2,(H,23,26)
InChIKeyBOWADQUJRAFLNB-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.60
Rot. Bonds4

About N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide

N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide (PubChem CID 134459694) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
PubChem CID134459694
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3noc(C4CCOCC4)n3)C1=O)C2
InChIInChI=1S/C21H24N4O5/c26-18(23-28)15-3-1-2-14-10-21(11-16(14)15)6-7-25(20(21)27)12-17-22-19(30-24-17)13-4-8-29-9-5-13/h1-3,13,28H,4-12H2,(H,23,26)
InChIKeyBOWADQUJRAFLNB-UHFFFAOYSA-N
XLogP1.60
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 71853426
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 75475833
6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 75504480
(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone
CID 163348121
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
3'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71932103
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
CID 163498123
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 91765118
2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The IUPAC name of N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide (CID 134459694) is N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide.
What is the SMILES notation for N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The canonical SMILES for N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide is O=C(NO)c1cccc2c1CC1(CCN(Cc3noc(C4CCOCC4)n3)C1=O)C2.
What is the InChIKey of N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The InChIKey is BOWADQUJRAFLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c26-18(23-28)15-3-1-2-14-10-21(11-16(14)15)6-7-25(20(21)27)12-17-22-19(30-24-17)13-4-8-29-9-5-13/h1-3,13,28H,4-12H2,(H,23,26).
What are the key properties of N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide is sourced from PubChem (CID 134459694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).