5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide

C19H20N2O2S — CID 4732484

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2c(C)noc2C)s1)c1cccc(C)c1
InChIInChI=1S/C19H20N2O2S/c1-5-21(15-8-6-7-12(2)11-15)19(22)17-10-9-16(24-17)18-13(3)20-23-14(18)4/h6-11H,5H2,1-4H3
InChIKeyWFRYIUYMTKWUKI-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.00
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 4732484) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID4732484
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2c(C)noc2C)s1)c1cccc(C)c1
InChIInChI=1S/C19H20N2O2S/c1-5-21(15-8-6-7-12(2)11-15)19(22)17-10-9-16(24-17)18-13(3)20-23-14(18)4/h6-11H,5H2,1-4H3
InChIKeyWFRYIUYMTKWUKI-UHFFFAOYSA-N
XLogP5.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide (CID 4732484) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide is CCN(C(=O)c1ccc(-c2c(C)noc2C)s1)c1cccc(C)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WFRYIUYMTKWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-5-21(15-8-6-7-12(2)11-15)19(22)17-10-9-16(24-17)18-13(3)20-23-14(18)4/h6-11H,5H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4732484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).