[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C22H29ClN4O3 — CID 135095975

IUPAC[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C22H29ClN4O3/c1-26-11-7-22(8-12-26)9-13-27(15-22)21(28)18-19(16-3-5-17(23)6-4-16)30-25-20(18)24-10-14-29-2/h3-6H,7-15H2,1-2H3,(H,24,25)
InChIKeyQWIXRERTVGPIML-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.61
Rot. Bonds6

About [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 135095975) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID135095975
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C22H29ClN4O3/c1-26-11-7-22(8-12-26)9-13-27(15-22)21(28)18-19(16-3-5-17(23)6-4-16)30-25-20(18)24-10-14-29-2/h3-6H,7-15H2,1-2H3,(H,24,25)
InChIKeyQWIXRERTVGPIML-UHFFFAOYSA-N
XLogP3.61
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4,4-bis(hydroxymethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone
CID 135101386
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 135095764
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135114962
5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
CID 135104886
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3R)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 154918302
5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108941
5-(4-chlorophenyl)-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 135096426
3-(3-aminopropylamino)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 163314238
2-azaspiro[4.4]nonan-2-yl-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135118686
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163315392
5-(4-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163310431
5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
CID 163308093

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 135095975) is [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is QWIXRERTVGPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-26-11-7-22(8-12-26)9-13-27(15-22)21(28)18-19(16-3-5-17(23)6-4-16)30-25-20(18)24-10-14-29-2/h3-6H,7-15H2,1-2H3,(H,24,25).
What are the key properties of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 432.95 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 135095975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).