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

C16H14N2O2S — CID 15988684

IUPACN-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)17-16(19)13-9-14(20-18-13)15-4-3-7-21-15/h3-9H,1-2H3,(H,17,19)
InChIKeyULUIYVDWISNLAB-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 15988684) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID15988684
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)17-16(19)13-9-14(20-18-13)15-4-3-7-21-15/h3-9H,1-2H3,(H,17,19)
InChIKeyULUIYVDWISNLAB-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 15988684) is N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ULUIYVDWISNLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)17-16(19)13-9-14(20-18-13)15-4-3-7-21-15/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).