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

C19H20FN5O2 — CID 126767138

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

1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 126767138) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
• PubChem CID: 126767138
• Molecular Formula: C19H20FN5O2
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.16
• IUPAC Name: 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
• SMILES: Cc1cc(F)cc(NC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c1
• InChI: InChI=1S/C19H20FN5O2/c1-11(2)16(18-24-17(25-27-18)13-5-4-6-21-10-13)23-19(26)22-15-8-12(3)7-14(20)9-15/h4-11,16H,1-3H3,(H2,22,23,26)
• InChIKey: PHIZQVXLSAJRTB-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 126767138) is 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

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

The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea is Cc1cc(F)cc(NC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c1.

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

The InChIKey is PHIZQVXLSAJRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11(2)16(18-24-17(25-27-18)13-5-4-6-21-10-13)23-19(26)22-15-8-12(3)7-14(20)9-15/h4-11,16H,1-3H3,(H2,22,23,26).

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

1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 369.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 126767138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).