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

C17H20N2O5S — CID 43034437

IUPAC[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2c(C)noc2C)s1
InChIInChI=1S/C17H20N2O5S/c1-9-14(10(2)24-19-9)7-16(21)23-11(3)17(22)15-6-5-13(25-15)8-18-12(4)20/h5-6,11H,7-8H2,1-4H3,(H,18,20)
InChIKeyDVHWAUGMDIHFOF-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.35
Rot. Bonds7

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

[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 43034437) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID43034437
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2c(C)noc2C)s1
InChIInChI=1S/C17H20N2O5S/c1-9-14(10(2)24-19-9)7-16(21)23-11(3)17(22)15-6-5-13(25-15)8-18-12(4)20/h5-6,11H,7-8H2,1-4H3,(H,18,20)
InChIKeyDVHWAUGMDIHFOF-UHFFFAOYSA-N
XLogP2.35
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55448922
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55448764
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 51874762
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55449881
[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 94870790
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46644557
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 46645081
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 46644651
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate
CID 46603136
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55448911
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565

Frequently Asked Questions

What is the IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 43034437) is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is CC(=O)NCc1ccc(C(=O)C(C)OC(=O)Cc2c(C)noc2C)s1.
What is the InChIKey of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is DVHWAUGMDIHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-9-14(10(2)24-19-9)7-16(21)23-11(3)17(22)15-6-5-13(25-15)8-18-12(4)20/h5-6,11H,7-8H2,1-4H3,(H,18,20).
What are the key properties of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 364.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 43034437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).