N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide

C14H13ClFN3O3 — CID 75524734

IUPACN-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide
SMILESCCc1onc(C)c1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O3/c1-3-11-12(7(2)19-22-11)18-14(21)13(20)17-8-4-5-10(16)9(15)6-8/h4-6H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXGEQDKQWUPIXKB-UHFFFAOYSA-N
MW325.73 g/mol
LogP2.92
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide

N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide (PubChem CID 75524734) has the molecular formula C14H13ClFN3O3 and a molecular weight of 325.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide
PubChem CID75524734
Molecular FormulaC14H13ClFN3O3
Molecular Weight325.73 g/mol
Exact Mass325.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide
SMILESCCc1onc(C)c1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O3/c1-3-11-12(7(2)19-22-11)18-14(21)13(20)17-8-4-5-10(16)9(15)6-8/h4-6H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXGEQDKQWUPIXKB-UHFFFAOYSA-N
XLogP2.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide (CID 75524734) is N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide is CCc1onc(C)c1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide?
The InChIKey is XGEQDKQWUPIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3/c1-3-11-12(7(2)19-22-11)18-14(21)13(20)17-8-4-5-10(16)9(15)6-8/h4-6H,3H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide?
N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide has a molecular weight of 325.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide is sourced from PubChem (CID 75524734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).