N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H13ClFN3O3 — CID 110313220

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFN3O3/c19-13-8-12(6-7-14(13)20)22-17(24)10-21-18(25)15-9-16(26-23-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,24)
InChIKeyZICZLUXBYKINTN-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110313220) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110313220
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFN3O3/c19-13-8-12(6-7-14(13)20)22-17(24)10-21-18(25)15-9-16(26-23-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,24)
InChIKeyZICZLUXBYKINTN-UHFFFAOYSA-N
XLogP3.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-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-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 49391141
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 75617038
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99783279
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 110313220) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZICZLUXBYKINTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-13-8-12(6-7-14(13)20)22-17(24)10-21-18(25)15-9-16(26-23-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,24).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 373.77 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).