1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea

C19H19ClN4O2 — CID 92888791

About 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea

1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 92888791) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
• PubChem CID: 92888791
• Molecular Formula: C19H19ClN4O2
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.12
• IUPAC Name: 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
• SMILES: CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3Cl)n2)c1
• InChI: InChI=1S/C19H19ClN4O2/c1-3-12(2)21-19(25)22-14-8-6-7-13(11-14)17-23-18(26-24-17)15-9-4-5-10-16(15)20/h4-12H,3H2,1-2H3,(H2,21,22,25)/t12-/m1/s1
• InChIKey: SZGDQLVOFRDKNI-GFCCVEGCSA-N
• XLogP: 4.98
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?

The IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 92888791) is 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?

The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3Cl)n2)c1.

What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?

The InChIKey is SZGDQLVOFRDKNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-12(2)21-19(25)22-14-8-6-7-13(11-14)17-23-18(26-24-17)15-9-4-5-10-16(15)20/h4-12H,3H2,1-2H3,(H2,21,22,25)/t12-/m1/s1.

What are the key properties of 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?

1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 370.84 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 92888791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).