(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C22H27N3O5 — CID 3852997

IUPAC(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)c4cc(C)on4)C3)CC2)c1
InChIInChI=1S/C22H27N3O5/c1-15-12-18(23-30-15)21(27)25-11-8-22(14-25)6-9-24(10-7-22)20(26)17-13-16(28-2)4-5-19(17)29-3/h4-5,12-13H,6-11,14H2,1-3H3
InChIKeyKLGDXNSWAVKFCH-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.77
Rot. Bonds4

About (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 3852997) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID3852997
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)c4cc(C)on4)C3)CC2)c1
InChIInChI=1S/C22H27N3O5/c1-15-12-18(23-30-15)21(27)25-11-8-22(14-25)6-9-24(10-7-22)20(26)17-13-16(28-2)4-5-19(17)29-3/h4-5,12-13H,6-11,14H2,1-3H3
InChIKeyKLGDXNSWAVKFCH-UHFFFAOYSA-N
XLogP2.77
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 3868214
8-(2,5-dimethoxybenzoyl)-N-(3,5-dimethoxyphenyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3548836
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
(2,5-dimethoxyphenyl)-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3721809
N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3867914
(2,5-dimethoxyphenyl)-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 74227669
methyl 2-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-6-nitrobenzoate
CID 3672768
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one
CID 3849379
1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
CID 3359814
3-amino-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323724

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 3852997) is (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is COc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)c4cc(C)on4)C3)CC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is KLGDXNSWAVKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15-12-18(23-30-15)21(27)25-11-8-22(14-25)6-9-24(10-7-22)20(26)17-13-16(28-2)4-5-19(17)29-3/h4-5,12-13H,6-11,14H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 413.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 3852997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).