1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea

C19H18ClFN4O3 — CID 135238801

About 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea

1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea (PubChem CID 135238801) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea
• PubChem CID: 135238801
• Molecular Formula: C19H18ClFN4O3
• Molecular Weight: 404.83 g/mol
• Exact Mass: 404.11
• IUPAC Name: 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea
• SMILES: O=C(Nc1ccc(F)cc1)N[C@@H](Cc1ccc(Cl)cc1)c1noc(CCO)n1
• InChI: InChI=1S/C19H18ClFN4O3/c20-13-3-1-12(2-4-13)11-16(18-24-17(9-10-26)28-25-18)23-19(27)22-15-7-5-14(21)6-8-15/h1-8,16,26H,9-11H2,(H2,22,23,27)/t16-/m0/s1
• InChIKey: WGVSDCHRTKUROJ-INIZCTEOSA-N
• XLogP: 3.50
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.83
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?

The IUPAC name of 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea (CID 135238801) is 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea.

What is the SMILES notation for 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?

The canonical SMILES for 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)N[C@@H](Cc1ccc(Cl)cc1)c1noc(CCO)n1.

What is the InChIKey of 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?

The InChIKey is WGVSDCHRTKUROJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c20-13-3-1-12(2-4-13)11-16(18-24-17(9-10-26)28-25-18)23-19(27)22-15-7-5-14(21)6-8-15/h1-8,16,26H,9-11H2,(H2,22,23,27)/t16-/m0/s1.

What are the key properties of 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?

1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 404.83 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 135238801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).