4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide

C19H13FN4O2 — CID 53057036

IUPAC4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(F)c1
InChIInChI=1S/C19H13FN4O2/c20-16-8-11(10-21)4-7-15(16)18(25)22-14-3-1-2-13(9-14)17-23-19(26-24-17)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,25)
InChIKeyPJGCQQDNBTZCMK-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.88
Rot. Bonds4

About 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide

4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide (PubChem CID 53057036) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
PubChem CID53057036
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(F)c1
InChIInChI=1S/C19H13FN4O2/c20-16-8-11(10-21)4-7-15(16)18(25)22-14-3-1-2-13(9-14)17-23-19(26-24-17)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,25)
InChIKeyPJGCQQDNBTZCMK-UHFFFAOYSA-N
XLogP3.88
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
CID 35521844
(3S)-N-(3-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 51405847

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide (CID 53057036) is 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide is N#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(F)c1.
What is the InChIKey of 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide?
The InChIKey is PJGCQQDNBTZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-16-8-11(10-21)4-7-15(16)18(25)22-14-3-1-2-13(9-14)17-23-19(26-24-17)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,25).
What are the key properties of 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide?
4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide has a molecular weight of 348.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 53057036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).