N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H16N2O2S — CID 20963618

IUPACN-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)12-5-7-13(8-6-12)19-17(20)15-16(21-10-18-15)14-4-3-9-22-14/h3-11H,1-2H3,(H,19,20)
InChIKeyYTKDWCTYZWCOJV-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.78
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 20963618) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID20963618
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)12-5-7-13(8-6-12)19-17(20)15-16(21-10-18-15)14-4-3-9-22-14/h3-11H,1-2H3,(H,19,20)
InChIKeyYTKDWCTYZWCOJV-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 20963618) is N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YTKDWCTYZWCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(2)12-5-7-13(8-6-12)19-17(20)15-16(21-10-18-15)14-4-3-9-22-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).