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

C19H20N2O2S — CID 46093882

IUPAC3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-13(10-11-15-7-4-3-5-8-15)20-19(22)17-14(2)21-23-18(17)16-9-6-12-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyFZVAWNDOXRLWOG-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.46
Rot. Bonds6

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

3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46093882) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46093882
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-13(10-11-15-7-4-3-5-8-15)20-19(22)17-14(2)21-23-18(17)16-9-6-12-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyFZVAWNDOXRLWOG-UHFFFAOYSA-N
XLogP4.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46093882) is 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FZVAWNDOXRLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(10-11-15-7-4-3-5-8-15)20-19(22)17-14(2)21-23-18(17)16-9-6-12-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).