methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate

C14H18N2O3S — CID 102673112

IUPACmethyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCc2nc(C)c(C)o2)s1
InChIInChI=1S/C14H18N2O3S/c1-9-10(2)19-13(16-9)8-15-7-12-5-4-11(20-12)6-14(17)18-3/h4-5,15H,6-8H2,1-3H3
InChIKeyPCJPQPJVVAMKLA-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate (PubChem CID 102673112) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
PubChem CID102673112
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCc2nc(C)c(C)o2)s1
InChIInChI=1S/C14H18N2O3S/c1-9-10(2)19-13(16-9)8-15-7-12-5-4-11(20-12)6-14(17)18-3/h4-5,15H,6-8H2,1-3H3
InChIKeyPCJPQPJVVAMKLA-UHFFFAOYSA-N
XLogP2.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673082
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
methyl 2-[5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 82893938
methyl 2-[5-[(1,2-oxazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 114185987
methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 103923999
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
methyl 2-[5-[[(3-hydroxycyclobutyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894526
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82895032
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate (CID 102673112) is methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCc2nc(C)c(C)o2)s1.
What is the InChIKey of methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is PCJPQPJVVAMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-10(2)19-13(16-9)8-15-7-12-5-4-11(20-12)6-14(17)18-3/h4-5,15H,6-8H2,1-3H3.
What are the key properties of methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 294.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 102673112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).