4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide

C21H20FN5O3 — CID 59567857

IUPAC4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C5CC5)no4)C3)cn2)cc1F
InChIInChI=1S/C21H20FN5O3/c22-17-7-13(3-5-16(17)20(23)28)18-6-4-14(8-24-18)29-15-9-27(10-15)11-19-25-21(26-30-19)12-1-2-12/h3-8,12,15H,1-2,9-11H2,(H2,23,28)
InChIKeyVLVYLYKBUSRZHM-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.51
Rot. Bonds7

About 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide

4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide (PubChem CID 59567857) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide
PubChem CID59567857
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C5CC5)no4)C3)cn2)cc1F
InChIInChI=1S/C21H20FN5O3/c22-17-7-13(3-5-16(17)20(23)28)18-6-4-14(8-24-18)29-15-9-27(10-15)11-19-25-21(26-30-19)12-1-2-12/h3-8,12,15H,1-2,9-11H2,(H2,23,28)
InChIKeyVLVYLYKBUSRZHM-UHFFFAOYSA-N
XLogP2.51
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide (CID 59567857) is 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide is NC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C5CC5)no4)C3)cn2)cc1F.
What is the InChIKey of 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is VLVYLYKBUSRZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-17-7-13(3-5-16(17)20(23)28)18-6-4-14(8-24-18)29-15-9-27(10-15)11-19-25-21(26-30-19)12-1-2-12/h3-8,12,15H,1-2,9-11H2,(H2,23,28).
What are the key properties of 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide?
4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 409.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 59567857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).