1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride

C17H25ClN6O2 — CID 120957367

About 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride

1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride (PubChem CID 120957367) has the molecular formula C17H25ClN6O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
• PubChem CID: 120957367
• Molecular Formula: C17H25ClN6O2
• Molecular Weight: 380.88 g/mol
• Exact Mass: 380.17
• IUPAC Name: 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
• SMILES: CC(C)NC(=O)Nc1ccccc1-c1nc(C2CNCCN2C)no1.Cl
• InChI: InChI=1S/C17H24N6O2.ClH/c1-11(2)19-17(24)20-13-7-5-4-6-12(13)16-21-15(22-25-16)14-10-18-8-9-23(14)3;/h4-7,11,14,18H,8-10H2,1-3H3,(H2,19,20,24);1H
• InChIKey: CXRKRURLVDVTHB-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 95.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.88
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride?

The IUPAC name of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride (CID 120957367) is 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride.

What is the SMILES notation for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride?

The canonical SMILES for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride is CC(C)NC(=O)Nc1ccccc1-c1nc(C2CNCCN2C)no1.Cl.

What is the InChIKey of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride?

The InChIKey is CXRKRURLVDVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.ClH/c1-11(2)19-17(24)20-13-7-5-4-6-12(13)16-21-15(22-25-16)14-10-18-8-9-23(14)3;/h4-7,11,14,18H,8-10H2,1-3H3,(H2,19,20,24);1H.

What are the key properties of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride?

1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 120957367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).