(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H29N5O2 — CID 97203254

IUPAC(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccccc1-c1noc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)n1
InChIInChI=1S/C21H29N5O2/c1-16-6-4-5-7-17(16)20-22-18(28-23-20)14-26-13-12-25(3)21(15-26)9-8-19(27)24(2)11-10-21/h4-7H,8-15H2,1-3H3/t21-/m0/s1
InChIKeyMDAIKYSNAUUYKR-NRFANRHFSA-N
MW383.50 g/mol
LogP2.17
Rot. Bonds3

About (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97203254) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97203254
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccccc1-c1noc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)n1
InChIInChI=1S/C21H29N5O2/c1-16-6-4-5-7-17(16)20-22-18(28-23-20)14-26-13-12-25(3)21(15-26)9-8-19(27)24(2)11-10-21/h4-7H,8-15H2,1-3H3/t21-/m0/s1
InChIKeyMDAIKYSNAUUYKR-NRFANRHFSA-N
XLogP2.17
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Launch Full Analysis

Related Compounds

(6R)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98842150
(6S)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130092
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 86774882
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
4-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845994
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 18275898
[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55617579
1,10-dimethyl-4-(3-phenylmethoxypropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70722921

Frequently Asked Questions

What is the IUPAC name of (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97203254) is (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1ccccc1-c1noc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)n1.
What is the InChIKey of (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is MDAIKYSNAUUYKR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-6-4-5-7-17(16)20-22-18(28-23-20)14-26-13-12-25(3)21(15-26)9-8-19(27)24(2)11-10-21/h4-7H,8-15H2,1-3H3/t21-/m0/s1.
What are the key properties of (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 383.50 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97203254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).