(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate

C17H13NO4S — CID 9063187

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)c2cccs2)no1
InChIInChI=1S/C17H13NO4S/c1-11-9-12(18-22-11)10-21-17(20)14-6-3-2-5-13(14)16(19)15-7-4-8-23-15/h2-9H,10H2,1H3
InChIKeyMRADLLJOFXPZPC-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.63
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate

(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate (PubChem CID 9063187) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
PubChem CID9063187
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)c2cccs2)no1
InChIInChI=1S/C17H13NO4S/c1-11-9-12(18-22-11)10-21-17(20)14-6-3-2-5-13(14)16(19)15-7-4-8-23-15/h2-9H,10H2,1H3
InChIKeyMRADLLJOFXPZPC-UHFFFAOYSA-N
XLogP3.63
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 8835489
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55538730
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 46811947
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 18145180
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 46812034
(5-methyl-1,2-oxazol-3-yl)methyl 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 8955741
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 26988923
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate (CID 9063187) is (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate is Cc1cc(COC(=O)c2ccccc2C(=O)c2cccs2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is MRADLLJOFXPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-11-9-12(18-22-11)10-21-17(20)14-6-3-2-5-13(14)16(19)15-7-4-8-23-15/h2-9H,10H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 327.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 9063187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).