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

C17H16N2O2S — CID 46093881

IUPAC3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11(13-7-4-3-5-8-13)18-17(20)15-12(2)19-21-16(15)14-9-6-10-22-14/h3-11H,1-2H3,(H,18,20)
InChIKeyPDILUWQYIMIGDC-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.20
Rot. Bonds4

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

3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46093881) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46093881
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11(13-7-4-3-5-8-13)18-17(20)15-12(2)19-21-16(15)14-9-6-10-22-14/h3-11H,1-2H3,(H,18,20)
InChIKeyPDILUWQYIMIGDC-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46093881) is 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is PDILUWQYIMIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(13-7-4-3-5-8-13)18-17(20)15-12(2)19-21-16(15)14-9-6-10-22-14/h3-11H,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).