methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C10H12N2O3S — CID 139762760

IUPACmethyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1nc(C)cs1
InChIInChI=1S/C10H12N2O3S/c1-5-4-16-9(11-5)8-7(10(13)14-3)12-6(2)15-8/h4,7-8H,1-3H3
InChIKeyMVHWBJGVTFGOMU-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.48
Rot. Bonds2

About methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762760) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762760
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1nc(C)cs1
InChIInChI=1S/C10H12N2O3S/c1-5-4-16-9(11-5)8-7(10(13)14-3)12-6(2)15-8/h4,7-8H,1-3H3
InChIKeyMVHWBJGVTFGOMU-UHFFFAOYSA-N
XLogP1.48
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one
CID 104772323
dimethyl 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296692
benzyl 5-[5-(chloromethyl)thiophen-2-yl]-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762809
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 101366987
benzyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 54210680
5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one
CID 103439880
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
benzyl N-[[(3S,4R)-4-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 164860831
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 104772225

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762760) is methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(C)OC1c1nc(C)cs1.
What is the InChIKey of methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is MVHWBJGVTFGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5-4-16-9(11-5)8-7(10(13)14-3)12-6(2)15-8/h4,7-8H,1-3H3.
What are the key properties of methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).