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

C13H15N3O5S — CID 122151755

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1nc(NC(=O)c2nc(C)oc2C)sc1C(=O)OC
InChIInChI=1S/C13H15N3O5S/c1-6-9(14-7(2)21-6)11(17)16-13-15-8(5-19-3)10(22-13)12(18)20-4/h5H2,1-4H3,(H,15,16,17)
InChIKeyWDINYRMKZYIFBJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.93
Rot. Bonds5

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

Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 122151755) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound NameMethyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID122151755
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Namemethyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1nc(NC(=O)c2nc(C)oc2C)sc1C(=O)OC
InChIInChI=1S/C13H15N3O5S/c1-6-9(14-7(2)21-6)11(17)16-13-15-8(5-19-3)10(22-13)12(18)20-4/h5H2,1-4H3,(H,15,16,17)
InChIKeyWDINYRMKZYIFBJ-UHFFFAOYSA-N
XLogP1.93
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate (CID 122151755) is methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate is COCc1nc(NC(=O)c2nc(C)oc2C)sc1C(=O)OC.
What is the InChIKey of Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is WDINYRMKZYIFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c1-6-9(14-7(2)21-6)11(17)16-13-15-8(5-19-3)10(22-13)12(18)20-4/h5H2,1-4H3,(H,15,16,17).
What are the key properties of Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 325.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 122151755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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