8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C19H24N2O5S — CID 20935529

IUPAC8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24N2O5S/c1-13-4-5-16(18-14(2)15(3)20-26-18)12-17(13)27(22,23)21-8-6-19(7-9-21)24-10-11-25-19/h4-5,12H,6-11H2,1-3H3
InChIKeyHFIFRSHASWPJRC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.79
Rot. Bonds3

About 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20935529) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20935529
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24N2O5S/c1-13-4-5-16(18-14(2)15(3)20-26-18)12-17(13)27(22,23)21-8-6-19(7-9-21)24-10-11-25-19/h4-5,12H,6-11H2,1-3H3
InChIKeyHFIFRSHASWPJRC-UHFFFAOYSA-N
XLogP2.79
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 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

8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 46365792
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole
CID 20935548
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole
CID 90469174
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3774926
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
CID 53060145
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
5-[4-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-3,4-dimethyl-1,2-oxazole
CID 46335668
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 20935529) is 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HFIFRSHASWPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-4-5-16(18-14(2)15(3)20-26-18)12-17(13)27(22,23)21-8-6-19(7-9-21)24-10-11-25-19/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 392.48 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20935529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).