N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C16H14N2O2S — CID 16879494

IUPACN-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)17-16(19)10-13-9-14(20-18-13)15-3-2-8-21-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyANCTVVBUSNPLJF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879494) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879494
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)17-16(19)10-13-9-14(20-18-13)15-3-2-8-21-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyANCTVVBUSNPLJF-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879494) is N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ANCTVVBUSNPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)17-16(19)10-13-9-14(20-18-13)15-3-2-8-21-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).