methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate

C10H9NO3S — CID 91664589

IUPACmethyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1sccc1C
InChIInChI=1S/C10H9NO3S/c1-6-3-4-15-9(6)8-7(10(12)13-2)11-5-14-8/h3-5H,1-2H3
InChIKeyVCOZUVPTMMIBAY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.50
Rot. Bonds2

About methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate

methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 91664589) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID91664589
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1sccc1C
InChIInChI=1S/C10H9NO3S/c1-6-3-4-15-9(6)8-7(10(12)13-2)11-5-14-8/h3-5H,1-2H3
InChIKeyVCOZUVPTMMIBAY-UHFFFAOYSA-N
XLogP2.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
N-methyl-1-[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 79140225
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208
methyl 5-(2-methoxycarbonyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 12508154
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 5-(3-methylthiophen-2-yl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 116824110
methyl 2-(3-formylthiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 135723517
5-methoxycarbonyl-1,3-oxazole-4-carboxylic acid
CID 130140430
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (CID 91664589) is methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1-c1sccc1C.
What is the InChIKey of methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is VCOZUVPTMMIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-3-4-15-9(6)8-7(10(12)13-2)11-5-14-8/h3-5H,1-2H3.
What are the key properties of methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 91664589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).