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

C17H15N3O4S — CID 1225785

IUPACmethyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)nc1C
InChIInChI=1S/C17H15N3O4S/c1-9-14(16(22)23-3)25-17(18-9)19-15(21)12-10(2)24-20-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,19,21)
InChIKeyHSNCRNNTHGDGJD-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.45
Rot. Bonds4

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

methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 1225785) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID1225785
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namemethyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)nc1C
InChIInChI=1S/C17H15N3O4S/c1-9-14(16(22)23-3)25-17(18-9)19-15(21)12-10(2)24-20-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,19,21)
InChIKeyHSNCRNNTHGDGJD-UHFFFAOYSA-N
XLogP3.45
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 903511
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2091187
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1080711
(2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-thiazol-4-yl)-acetic acid ethyl ester
CID 1147646
3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1292039
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 1225785) is methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is HSNCRNNTHGDGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-9-14(16(22)23-3)25-17(18-9)19-15(21)12-10(2)24-20-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,19,21).
What are the key properties of methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1225785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).