1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C21H16FN5O2 — CID 71800527

About 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 71800527) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• PubChem CID: 71800527
• Molecular Formula: C21H16FN5O2
• Molecular Weight: 389.39 g/mol
• Exact Mass: 389.13
• IUPAC Name: 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• SMILES: O=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C21H16FN5O2/c22-16-7-9-17(10-8-16)24-21(28)25-18-6-2-1-4-14(18)12-19-26-20(27-29-19)15-5-3-11-23-13-15/h1-11,13H,12H2,(H2,24,25,28)
• InChIKey: OOFPOIFABFCQIA-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.39
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The IUPAC name of 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 71800527) is 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The InChIKey is OOFPOIFABFCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-16-7-9-17(10-8-16)24-21(28)25-18-6-2-1-4-14(18)12-19-26-20(27-29-19)15-5-3-11-23-13-15/h1-11,13H,12H2,(H2,24,25,28).

What are the key properties of 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 389.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 71800527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).