5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide

C10H10N2O2S — CID 71806156

IUPAC5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCc1ccsc1
InChIInChI=1S/C10H10N2O2S/c1-7-9(5-12-14-7)10(13)11-4-8-2-3-15-6-8/h2-3,5-6H,4H2,1H3,(H,11,13)
InChIKeyHAYCAFPGXTUYCJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide

5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 71806156) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID71806156
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCc1ccsc1
InChIInChI=1S/C10H10N2O2S/c1-7-9(5-12-14-7)10(13)11-4-8-2-3-15-6-8/h2-3,5-6H,4H2,1H3,(H,11,13)
InChIKeyHAYCAFPGXTUYCJ-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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Related Compounds

5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
4-hydrazinyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81256330
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 67841632
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
CID 74250077
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 71806156) is 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCc1ccsc1.
What is the InChIKey of 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HAYCAFPGXTUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-7-9(5-12-14-7)10(13)11-4-8-2-3-15-6-8/h2-3,5-6H,4H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-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-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).