5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C10H10N2O2S — CID 1245269

IUPAC5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)10(13)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13)
InChIKeyMIFAGBVWVHQZST-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 1245269) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID1245269
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)10(13)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13)
InChIKeyMIFAGBVWVHQZST-UHFFFAOYSA-N
XLogP1.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 1245269) is 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cccs2)no1.
What is the InChIKey of 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MIFAGBVWVHQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)10(13)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1245269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).