(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

C15H11NO4S — CID 17011461

IUPAC(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H11NO4S/c1-18-10-4-6-11(7-5-10)19-15(17)12-9-13(20-16-12)14-3-2-8-21-14/h2-9H,1H3
InChIKeyJJNSIBWSLWTYKV-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.63
Rot. Bonds4

About (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 17011461) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
PubChem CID17011461
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H11NO4S/c1-18-10-4-6-11(7-5-10)19-15(17)12-9-13(20-16-12)14-3-2-8-21-14/h2-9H,1H3
InChIKeyJJNSIBWSLWTYKV-UHFFFAOYSA-N
XLogP3.63
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
(3-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011041
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122302836
(2-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011718
2-(3-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867656
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134054677
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
(4-fluorophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24592479
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (CID 17011461) is (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is COc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is JJNSIBWSLWTYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-18-10-4-6-11(7-5-10)19-15(17)12-9-13(20-16-12)14-3-2-8-21-14/h2-9H,1H3.
What are the key properties of (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 17011461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).