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

C19H20FN5O2 — CID 51134100

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

1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 51134100) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea
• PubChem CID: 51134100
• Molecular Formula: C19H20FN5O2
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.16
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea
• SMILES: CC(C)C(NC(=O)NCc1ccccc1F)c1nc(-c2ccncc2)no1
• InChI: InChI=1S/C19H20FN5O2/c1-12(2)16(18-24-17(25-27-18)13-7-9-21-10-8-13)23-19(26)22-11-14-5-3-4-6-15(14)20/h3-10,12,16H,11H2,1-2H3,(H2,22,23,26)
• InChIKey: YPVCKJCKWBFEJV-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 51134100) is 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

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

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea is CC(C)C(NC(=O)NCc1ccccc1F)c1nc(-c2ccncc2)no1.

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

The InChIKey is YPVCKJCKWBFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12(2)16(18-24-17(25-27-18)13-7-9-21-10-8-13)23-19(26)22-11-14-5-3-4-6-15(14)20/h3-10,12,16H,11H2,1-2H3,(H2,22,23,26).

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

1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 369.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 51134100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).