5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

C23H21N3O2S — CID 2122558

IUPAC5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)c(C)c1
InChIInChI=1S/C23H21N3O2S/c1-13-10-14(2)19(15(3)11-13)18-12-29-23(24-18)25-22(27)20-16(4)28-26-21(20)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25,27)
InChIKeyLMXVQJURYQGKJL-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.95
Rot. Bonds4

About 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 2122558) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID2122558
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)c(C)c1
InChIInChI=1S/C23H21N3O2S/c1-13-10-14(2)19(15(3)11-13)18-12-29-23(24-18)25-22(27)20-16(4)28-26-21(20)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25,27)
InChIKeyLMXVQJURYQGKJL-UHFFFAOYSA-N
XLogP5.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2649223
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
1-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide
CID 9022855
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39097245
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176859822
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 58442475
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 2122558) is 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)c(C)c1.
What is the InChIKey of 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is LMXVQJURYQGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-13-10-14(2)19(15(3)11-13)18-12-29-23(24-18)25-22(27)20-16(4)28-26-21(20)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25,27).
What are the key properties of 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2122558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).