5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide

C11H12N2O3S — CID 74242161

IUPAC5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C11H12N2O3S/c1-15-7-9-2-3-10(17-9)11(14)12-6-8-4-5-16-13-8/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyNREMSKUGSRZEFA-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.81
Rot. Bonds5

About 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide

5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 74242161) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
PubChem CID74242161
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C11H12N2O3S/c1-15-7-9-2-3-10(17-9)11(14)12-6-8-4-5-16-13-8/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyNREMSKUGSRZEFA-UHFFFAOYSA-N
XLogP1.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide (CID 74242161) is 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)NCc2ccon2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NREMSKUGSRZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-7-9-2-3-10(17-9)11(14)12-6-8-4-5-16-13-8/h2-5H,6-7H2,1H3,(H,12,14).
What are the key properties of 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 74242161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).