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

C12H15N3O3S — CID 113377294

IUPACethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)Cc2scnc2C)n1
InChIInChI=1S/C12H15N3O3S/c1-4-17-11(16)9-6-18-12(14-9)15(3)5-10-8(2)13-7-19-10/h6-7H,4-5H2,1-3H3
InChIKeySCKQWMVOWGEKBU-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.25
Rot. Bonds5

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

ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377294) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
PubChem CID113377294
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Nameethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)Cc2scnc2C)n1
InChIInChI=1S/C12H15N3O3S/c1-4-17-11(16)9-6-18-12(14-9)15(3)5-10-8(2)13-7-19-10/h6-7H,4-5H2,1-3H3
InChIKeySCKQWMVOWGEKBU-UHFFFAOYSA-N
XLogP2.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
CID 167466268
methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
CID 114406679
ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892726
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377205
ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 90852129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate (CID 113377294) is ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N(C)Cc2scnc2C)n1.
What is the InChIKey of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate?
The InChIKey is SCKQWMVOWGEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-4-17-11(16)9-6-18-12(14-9)15(3)5-10-8(2)13-7-19-10/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).