methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

C18H17N3O4S — CID 71709164

IUPACmethyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2c(C)noc2C)sc1Cc1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-10-14(11(2)25-21-10)16(22)20-18-19-15(17(23)24-3)13(26-18)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,19,20,22)
InChIKeyOSLYSKPROYFUHL-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.38
Rot. Bonds5

About methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 71709164) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID71709164
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2c(C)noc2C)sc1Cc1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-10-14(11(2)25-21-10)16(22)20-18-19-15(17(23)24-3)13(26-18)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,19,20,22)
InChIKeyOSLYSKPROYFUHL-UHFFFAOYSA-N
XLogP3.38
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800714
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
methyl 5-benzyl-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71702857
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 2171476
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
N-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 155918957
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926865
methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 71706844

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 71709164) is methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2c(C)noc2C)sc1Cc1ccccc1.
What is the InChIKey of methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is OSLYSKPROYFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10-14(11(2)25-21-10)16(22)20-18-19-15(17(23)24-3)13(26-18)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,19,20,22).
What are the key properties of methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71709164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).