1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

C18H26N4O3 — CID 111795023

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (PubChem CID 111795023) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.

Molecular Properties

• Compound Name: 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
• PubChem CID: 111795023
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
• SMILES: Cc1noc(C)c1CC(C)NC(=O)NCC(CO)Cc1ccccn1
• InChI: InChI=1S/C18H26N4O3/c1-12(8-17-13(2)22-25-14(17)3)21-18(24)20-10-15(11-23)9-16-6-4-5-7-19-16/h4-7,12,15,23H,8-11H2,1-3H3,(H2,20,21,24)
• InChIKey: RAQGKEJPOVNTSC-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?

The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (CID 111795023) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.

What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?

The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is Cc1noc(C)c1CC(C)NC(=O)NCC(CO)Cc1ccccn1.

What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?

The InChIKey is RAQGKEJPOVNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(8-17-13(2)22-25-14(17)3)21-18(24)20-10-15(11-23)9-16-6-4-5-7-19-16/h4-7,12,15,23H,8-11H2,1-3H3,(H2,20,21,24).

What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea has a molecular weight of 346.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is sourced from PubChem (CID 111795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).