methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C13H15N3O4S — CID 43623062

IUPACmethyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCc1noc(C)c1C(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C13H15N3O4S/c1-4-9-11(7(2)20-16-9)12(18)15-13-14-8(6-21-13)5-10(17)19-3/h6H,4-5H2,1-3H3,(H,14,15,18)
InChIKeyAHLGPIKUWIXJTD-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 43623062) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID43623062
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCc1noc(C)c1C(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C13H15N3O4S/c1-4-9-11(7(2)20-16-9)12(18)15-13-14-8(6-21-13)5-10(17)19-3/h6H,4-5H2,1-3H3,(H,14,15,18)
InChIKeyAHLGPIKUWIXJTD-UHFFFAOYSA-N
XLogP1.97
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate 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

methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 62733826
ethyl 2-[2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 1147646
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576562
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66335727
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18139425
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 46972190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 43623062) is methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCc1noc(C)c1C(=O)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AHLGPIKUWIXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-4-9-11(7(2)20-16-9)12(18)15-13-14-8(6-21-13)5-10(17)19-3/h6H,4-5H2,1-3H3,(H,14,15,18).
What are the key properties of methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 309.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43623062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).