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

C21H21FN4O2 — CID 119047290

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

1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (PubChem CID 119047290) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
• PubChem CID: 119047290
• Molecular Formula: C21H21FN4O2
• Molecular Weight: 380.42 g/mol
• Exact Mass: 380.16
• IUPAC Name: 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
• SMILES: CC(NC(=O)NCc1ccc(C2CC2)cc1)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C21H21FN4O2/c1-13(20-25-19(26-28-20)17-3-2-4-18(22)11-17)24-21(27)23-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16H,9-10,12H2,1H3,(H2,23,24,27)
• InChIKey: AQXREVAGXJKUCZ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.42
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (CID 119047290) is 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

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

The canonical SMILES for 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is CC(NC(=O)NCc1ccc(C2CC2)cc1)c1nc(-c2cccc(F)c2)no1.

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

The InChIKey is AQXREVAGXJKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(20-25-19(26-28-20)17-3-2-4-18(22)11-17)24-21(27)23-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16H,9-10,12H2,1H3,(H2,23,24,27).

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

1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea has a molecular weight of 380.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is sourced from PubChem (CID 119047290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).