N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C18H12ClFN4O2 — CID 26705345

IUPACN-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C18H12ClFN4O2/c19-15-9-14(6-3-12(15)10-21)22-16(25)7-8-17-23-18(24-26-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8H2,(H,22,25)
InChIKeyKSBOGUFFADYSFV-UHFFFAOYSA-N
MW370.77 g/mol
LogP3.97
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 26705345) has the molecular formula C18H12ClFN4O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID26705345
Molecular FormulaC18H12ClFN4O2
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C18H12ClFN4O2/c19-15-9-14(6-3-12(15)10-21)22-16(25)7-8-17-23-18(24-26-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8H2,(H,22,25)
InChIKeyKSBOGUFFADYSFV-UHFFFAOYSA-N
XLogP3.97
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 26705345) is N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is N#Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is KSBOGUFFADYSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2/c19-15-9-14(6-3-12(15)10-21)22-16(25)7-8-17-23-18(24-26-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8H2,(H,22,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 370.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 26705345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).