methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate

C12H13NO3S — CID 22221480

IUPACmethyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnoc1-c1cc(C)cs1
InChIInChI=1S/C12H13NO3S/c1-8-5-10(17-7-8)12-9(6-13-16-12)3-4-11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKeyFJVGTUBFGKIWEY-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.82
Rot. Bonds4

About methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate

methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate (PubChem CID 22221480) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate
PubChem CID22221480
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Namemethyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnoc1-c1cc(C)cs1
InChIInChI=1S/C12H13NO3S/c1-8-5-10(17-7-8)12-9(6-13-16-12)3-4-11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKeyFJVGTUBFGKIWEY-UHFFFAOYSA-N
XLogP2.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
CID 22221228
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CID 87837888
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
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CID 12862928
methyl 2-(3-methoxy-3-oxopropyl)-5-methylbenzoate
CID 134614148
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 3-(5-formyl-2-methyl-1H-pyrrol-3-yl)propanoate
CID 14409956
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate?
The IUPAC name of methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate (CID 22221480) is methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate is COC(=O)CCc1cnoc1-c1cc(C)cs1.
What is the InChIKey of methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate?
The InChIKey is FJVGTUBFGKIWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8-5-10(17-7-8)12-9(6-13-16-12)3-4-11(14)15-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate?
methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate has a molecular weight of 251.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate is sourced from PubChem (CID 22221480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).