methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate

C17H17N3O3S — CID 59568508

IUPACmethyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CCc2c(-c3ccccn3)noc2C)nc1C
InChIInChI=1S/C17H17N3O3S/c1-10-16(17(21)22-3)24-14(19-10)8-7-12-11(2)23-20-15(12)13-6-4-5-9-18-13/h4-6,9H,7-8H2,1-3H3
InChIKeyULFIWXQHRGZRDZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.38
Rot. Bonds5

About methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 59568508) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
PubChem CID59568508
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Namemethyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CCc2c(-c3ccccn3)noc2C)nc1C
InChIInChI=1S/C17H17N3O3S/c1-10-16(17(21)22-3)24-14(19-10)8-7-12-11(2)23-20-15(12)13-6-4-5-9-18-13/h4-6,9H,7-8H2,1-3H3
InChIKeyULFIWXQHRGZRDZ-UHFFFAOYSA-N
XLogP3.38
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 66643655
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59568532
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 31156282
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
CID 66644602
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
CID 122553188
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate (CID 59568508) is methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(CCc2c(-c3ccccn3)noc2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is ULFIWXQHRGZRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-16(17(21)22-3)24-14(19-10)8-7-12-11(2)23-20-15(12)13-6-4-5-9-18-13/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59568508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).