1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C24H25N3O6S — CID 16649664

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C24H25N3O6S/c1-15-2-4-17(5-3-15)22-26-23(24(33-22)27-10-8-16(9-11-27)21(25)28)34(29,30)18-6-7-19-20(14-18)32-13-12-31-19/h2-7,14,16H,8-13H2,1H3,(H2,25,28)
InChIKeyIRFXQDHJFKWLIA-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 16649664) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID16649664
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C24H25N3O6S/c1-15-2-4-17(5-3-15)22-26-23(24(33-22)27-10-8-16(9-11-27)21(25)28)34(29,30)18-6-7-19-20(14-18)32-13-12-31-19/h2-7,14,16H,8-13H2,1H3,(H2,25,28)
InChIKeyIRFXQDHJFKWLIA-UHFFFAOYSA-N
XLogP2.96
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 16649664) is 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is IRFXQDHJFKWLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-15-2-4-17(5-3-15)22-26-23(24(33-22)27-10-8-16(9-11-27)21(25)28)34(29,30)18-6-7-19-20(14-18)32-13-12-31-19/h2-7,14,16H,8-13H2,1H3,(H2,25,28).
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16649664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).