N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide

C22H13ClF2N2O2 — CID 22433849

IUPACN-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1noc(-c2cccc(F)c2)c1-c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C22H13ClF2N2O2/c23-16-9-7-13(8-10-16)19-20(14-3-1-5-17(24)11-14)29-27-21(19)26-22(28)15-4-2-6-18(25)12-15/h1-12H,(H,26,27,28)
InChIKeyUZAAAIKIETZAQF-UHFFFAOYSA-N
MW410.81 g/mol
LogP6.19
Rot. Bonds4

About N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide

N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide (PubChem CID 22433849) has the molecular formula C22H13ClF2N2O2 and a molecular weight of 410.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide
PubChem CID22433849
Molecular FormulaC22H13ClF2N2O2
Molecular Weight410.81 g/mol
Exact Mass410.06
IUPAC NameN-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1noc(-c2cccc(F)c2)c1-c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C22H13ClF2N2O2/c23-16-9-7-13(8-10-16)19-20(14-3-1-5-17(24)11-14)29-27-21(19)26-22(28)15-4-2-6-18(25)12-15/h1-12H,(H,26,27,28)
InChIKeyUZAAAIKIETZAQF-UHFFFAOYSA-N
XLogP6.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.81
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide (CID 22433849) is N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide is O=C(Nc1noc(-c2cccc(F)c2)c1-c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide?
The InChIKey is UZAAAIKIETZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N2O2/c23-16-9-7-13(8-10-16)19-20(14-3-1-5-17(24)11-14)29-27-21(19)26-22(28)15-4-2-6-18(25)12-15/h1-12H,(H,26,27,28).
What are the key properties of N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide?
N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide has a molecular weight of 410.81 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 22433849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).