[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate

C16H13NO4S — CID 16870016

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3cccs3)no2)cc1
InChIInChI=1S/C16H13NO4S/c1-19-13-6-4-11(5-7-13)14-9-12(17-21-14)10-20-16(18)15-3-2-8-22-15/h2-9H,10H2,1H3
InChIKeySEJPSCKBDNHFNH-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.77
Rot. Bonds5

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

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (PubChem CID 16870016) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
PubChem CID16870016
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3cccs3)no2)cc1
InChIInChI=1S/C16H13NO4S/c1-19-13-6-4-11(5-7-13)14-9-12(17-21-14)10-20-16(18)15-3-2-8-22-15/h2-9H,10H2,1H3
InChIKeySEJPSCKBDNHFNH-UHFFFAOYSA-N
XLogP3.77
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (CID 16870016) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate is COc1ccc(-c2cc(COC(=O)c3cccs3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The InChIKey is SEJPSCKBDNHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-19-13-6-4-11(5-7-13)14-9-12(17-21-14)10-20-16(18)15-3-2-8-22-15/h2-9H,10H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate is sourced from PubChem (CID 16870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).