[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C19H22F2N4O2 — CID 26410224

IUPAC[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3/t19-/m0/s1
InChIKeySLQDNBYJPBMTLT-IBGZPJMESA-N
MW376.41 g/mol
LogP2.78
Rot. Bonds3

About [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 26410224) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID26410224
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3/t19-/m0/s1
InChIKeySLQDNBYJPBMTLT-IBGZPJMESA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
4-{[4-(3-Fluorobenzoyl)piperazin-1-yl]carbonyl}-1,2,5-oxadiazol-3-amine
CID 20895388
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45233671
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 45251888
6-(4-Fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 46958877
4-(4-Fluorobenzyl)-3-isopropyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4-diazepan-5-one
CID 56874105
3-[2-(4-Fluorophenyl)ethyl]-1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]piperidine
CID 56875017
N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 126466310

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 26410224) is [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is SLQDNBYJPBMTLT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3/t19-/m0/s1.
What are the key properties of [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 376.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 26410224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).