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

C20H22N4O2 — CID 92888759

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

1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 92888759) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
• PubChem CID: 92888759
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
• SMILES: CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3cccc(C)c3)n2)c1
• InChI: InChI=1S/C20H22N4O2/c1-4-14(3)21-20(25)22-17-10-6-8-15(12-17)18-23-19(26-24-18)16-9-5-7-13(2)11-16/h5-12,14H,4H2,1-3H3,(H2,21,22,25)/t14-/m1/s1
• InChIKey: GTZFCSXVDPUBHF-CQSZACIVSA-N
• XLogP: 4.63
• 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	350.42
LogP ≤ 5	4.63
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-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?

The IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 92888759) is 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

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

The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3cccc(C)c3)n2)c1.

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

The InChIKey is GTZFCSXVDPUBHF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-14(3)21-20(25)22-17-10-6-8-15(12-17)18-23-19(26-24-18)16-9-5-7-13(2)11-16/h5-12,14H,4H2,1-3H3,(H2,21,22,25)/t14-/m1/s1.

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

1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 350.42 g/mol, XLogP of 4.63, 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-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 92888759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).