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

C19H16FN3O2 — CID 53041733

IUPACN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C19H16FN3O2/c20-15-8-4-12(5-9-15)10-17(24)21-16-3-1-2-14(11-16)18-22-19(25-23-18)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,21,24)
InChIKeyUGXXPBIDIKYNQW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.93
Rot. Bonds5

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

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 53041733) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID53041733
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C19H16FN3O2/c20-15-8-4-12(5-9-15)10-17(24)21-16-3-1-2-14(11-16)18-22-19(25-23-18)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,21,24)
InChIKeyUGXXPBIDIKYNQW-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide (CID 53041733) is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is UGXXPBIDIKYNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-8-4-12(5-9-15)10-17(24)21-16-3-1-2-14(11-16)18-22-19(25-23-18)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,21,24).
What are the key properties of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53041733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).