N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

C22H23N3O4S — CID 60604982

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCCS3(=O)=O)o2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)20-15-24-22(29-20)19-6-3-2-5-18(19)21(26)23-11-13-25-12-4-14-30(25,27)28/h2-3,5-10,15H,4,11-14H2,1H3,(H,23,26)
InChIKeyCUIIPRRTBBCKFP-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 60604982) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID60604982
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCCS3(=O)=O)o2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)20-15-24-22(29-20)19-6-3-2-5-18(19)21(26)23-11-13-25-12-4-14-30(25,27)28/h2-3,5-10,15H,4,11-14H2,1H3,(H,23,26)
InChIKeyCUIIPRRTBBCKFP-UHFFFAOYSA-N
XLogP3.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide 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

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (CID 60604982) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCCS3(=O)=O)o2)cc1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is CUIIPRRTBBCKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)20-15-24-22(29-20)19-6-3-2-5-18(19)21(26)23-11-13-25-12-4-14-30(25,27)28/h2-3,5-10,15H,4,11-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 60604982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).