N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

C24H22ClN3O4S — CID 67262609

IUPACN-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H22ClN3O4S/c1-14-27-21(22(32-14)15-4-2-5-16(25)12-15)24(30)28-9-11-33-20(28)13-26-23(29)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,20H,8-11,13H2,1H3,(H,26,29)
InChIKeyICGCFMGOOUZRJW-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.18
Rot. Bonds5

About N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 67262609) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
PubChem CID67262609
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H22ClN3O4S/c1-14-27-21(22(32-14)15-4-2-5-16(25)12-15)24(30)28-9-11-33-20(28)13-26-23(29)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,20H,8-11,13H2,1H3,(H,26,29)
InChIKeyICGCFMGOOUZRJW-UHFFFAOYSA-N
XLogP4.18
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[2-(dimethylamino)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 44609120
N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262712
N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262660
N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 44608627
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 67262584
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 67262727
2-methoxy-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyridine-3-carboxamide
CID 67262464
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25182669
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67262517
N-[[(2S,3aS,6aS)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25147776
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-4-carbohydrazide
CID 134102618

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (CID 67262609) is N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is Cc1nc(C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The InChIKey is ICGCFMGOOUZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-14-27-21(22(32-14)15-4-2-5-16(25)12-15)24(30)28-9-11-33-20(28)13-26-23(29)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,20H,8-11,13H2,1H3,(H,26,29).
What are the key properties of N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67262609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).