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

C16H11ClFN3O3S — CID 49391141

IUPAC5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(Cl)s2)on1)Nc1cccc(F)c1
InChIInChI=1S/C16H11ClFN3O3S/c17-14-5-4-13(25-14)12-7-11(21-24-12)16(23)19-8-15(22)20-10-3-1-2-9(18)6-10/h1-7H,8H2,(H,19,23)(H,20,22)
InChIKeyRMICEUXGDZHVQO-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.56
Rot. Bonds5

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

5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (PubChem CID 49391141) has the molecular formula C16H11ClFN3O3S and a molecular weight of 379.80 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
PubChem CID49391141
Molecular FormulaC16H11ClFN3O3S
Molecular Weight379.80 g/mol
Exact Mass379.02
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(Cl)s2)on1)Nc1cccc(F)c1
InChIInChI=1S/C16H11ClFN3O3S/c17-14-5-4-13(25-14)12-7-11(21-24-12)16(23)19-8-15(22)20-10-3-1-2-9(18)6-10/h1-7H,8H2,(H,19,23)(H,20,22)
InChIKeyRMICEUXGDZHVQO-UHFFFAOYSA-N
XLogP3.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-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

Related Compounds

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313220
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000478
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 154766232
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (CID 49391141) is 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is O=C(CNC(=O)c1cc(-c2ccc(Cl)s2)on1)Nc1cccc(F)c1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RMICEUXGDZHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S/c17-14-5-4-13(25-14)12-7-11(21-24-12)16(23)19-8-15(22)20-10-3-1-2-9(18)6-10/h1-7H,8H2,(H,19,23)(H,20,22).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49391141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).