N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C17H14FN3O3S — CID 18136168

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H14FN3O3S/c1-21(10-16(22)19-12-6-4-11(18)5-7-12)17(23)13-9-14(24-20-13)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyVPXFITLOCTXATM-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 18136168) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID18136168
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H14FN3O3S/c1-21(10-16(22)19-12-6-4-11(18)5-7-12)17(23)13-9-14(24-20-13)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyVPXFITLOCTXATM-UHFFFAOYSA-N
XLogP3.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 18136168) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VPXFITLOCTXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-21(10-16(22)19-12-6-4-11(18)5-7-12)17(23)13-9-14(24-20-13)15-3-2-8-25-15/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 18136168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).