methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate

C11H10N2O4S — CID 67087048

IUPACmethyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccno2)s1
InChIInChI=1S/C11H10N2O4S/c1-13(9-5-6-12-17-9)10(14)7-3-4-8(18-7)11(15)16-2/h3-6H,1-2H3
InChIKeyGHTWKFOEIHFGAE-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.80
Rot. Bonds3

About methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate

methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate (PubChem CID 67087048) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate
PubChem CID67087048
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccno2)s1
InChIInChI=1S/C11H10N2O4S/c1-13(9-5-6-12-17-9)10(14)7-3-4-8(18-7)11(15)16-2/h3-6H,1-2H3
InChIKeyGHTWKFOEIHFGAE-UHFFFAOYSA-N
XLogP1.80
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate (CID 67087048) is methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N(C)c2ccno2)s1.
What is the InChIKey of methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is GHTWKFOEIHFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-13(9-5-6-12-17-9)10(14)7-3-4-8(18-7)11(15)16-2/h3-6H,1-2H3.
What are the key properties of methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 67087048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).