[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate

C16H14N2O4S — CID 7837816

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(19)21-9-14-17-15(18-22-14)11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3
InChIKeyAWLBRGCXQJARQD-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.47
Rot. Bonds5

About [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate (PubChem CID 7837816) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate
PubChem CID7837816
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(19)21-9-14-17-15(18-22-14)11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3
InChIKeyAWLBRGCXQJARQD-UHFFFAOYSA-N
XLogP3.47
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate (CID 7837816) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate is COc1cccc(-c2noc(COC(=O)c3ccc(C)s3)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate?
The InChIKey is AWLBRGCXQJARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(19)21-9-14-17-15(18-22-14)11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).