N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C23H21N3O4S — CID 22418100

IUPACN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCCc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-14-19(25-22(30-14)17-5-3-2-4-6-17)21(28)24-12-11-15-7-9-16(10-8-15)13-18-20(27)26-23(29)31-18/h2-10,18H,11-13H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyBEQWBHUXIWAPHW-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 22418100) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID22418100
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCCc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-14-19(25-22(30-14)17-5-3-2-4-6-17)21(28)24-12-11-15-7-9-16(10-8-15)13-18-20(27)26-23(29)31-18/h2-10,18H,11-13H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyBEQWBHUXIWAPHW-UHFFFAOYSA-N
XLogP3.52
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88623049
5-[[4-[(E)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751803
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 72731611
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 15751813
5-[[4-[(E)-N-hydroxy-C-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]carbonimidoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14456685
carbamoylsulfamoylurea;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 174880221
N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide
CID 22341528
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 22418098
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethylsulfonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751810
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 22418100) is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)NCCc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is BEQWBHUXIWAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14-19(25-22(30-14)17-5-3-2-4-6-17)21(28)24-12-11-15-7-9-16(10-8-15)13-18-20(27)26-23(29)31-18/h2-10,18H,11-13H2,1H3,(H,24,28)(H,26,27,29).
What are the key properties of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 22418100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).