N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C21H17N3O3S — CID 2467159

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1
InChIInChI=1S/C21H17N3O3S/c1-13-18(23-20(27-13)15-6-4-3-5-7-15)19(25)24-21-22-17(12-28-21)14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,22,24,25)
InChIKeyISZFUGIWEYWMBK-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.03
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2467159) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2467159
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1
InChIInChI=1S/C21H17N3O3S/c1-13-18(23-20(27-13)15-6-4-3-5-7-15)19(25)24-21-22-17(12-28-21)14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,22,24,25)
InChIKeyISZFUGIWEYWMBK-UHFFFAOYSA-N
XLogP5.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-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 N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 2467159) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ISZFUGIWEYWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-13-18(23-20(27-13)15-6-4-3-5-7-15)19(25)24-21-22-17(12-28-21)14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2467159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).