N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H12FN3O2 — CID 3243409

IUPACN-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-5-3-12(4-6-13)15-9-16(23-21-15)17(22)20-14-7-1-11(10-19)2-8-14/h1-8,16H,9H2,(H,20,22)
InChIKeyTUYHAXDPQNIKOQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.83
Rot. Bonds3

About N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3243409) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3243409
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-5-3-12(4-6-13)15-9-16(23-21-15)17(22)20-14-7-1-11(10-19)2-8-14/h1-8,16H,9H2,(H,20,22)
InChIKeyTUYHAXDPQNIKOQ-UHFFFAOYSA-N
XLogP2.83
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3243409) is N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is N#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is TUYHAXDPQNIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-5-3-12(4-6-13)15-9-16(23-21-15)17(22)20-14-7-1-11(10-19)2-8-14/h1-8,16H,9H2,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3243409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).