1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea

C20H24N4O2 — CID 46137998

About 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea

1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea (PubChem CID 46137998) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
• PubChem CID: 46137998
• Molecular Formula: C20H24N4O2
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.19
• IUPAC Name: 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
• SMILES: CC(C)NC(=O)N(Cc1ccccc1)CC1CC(c2cccnc2)=NO1
• InChI: InChI=1S/C20H24N4O2/c1-15(2)22-20(25)24(13-16-7-4-3-5-8-16)14-18-11-19(23-26-18)17-9-6-10-21-12-17/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,22,25)
• InChIKey: YZILWZSPFAJZKG-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea?

The IUPAC name of 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea (CID 46137998) is 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea.

What is the SMILES notation for 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea?

The canonical SMILES for 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea is CC(C)NC(=O)N(Cc1ccccc1)CC1CC(c2cccnc2)=NO1.

What is the InChIKey of 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea?

The InChIKey is YZILWZSPFAJZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(2)22-20(25)24(13-16-7-4-3-5-8-16)14-18-11-19(23-26-18)17-9-6-10-21-12-17/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,22,25).

What are the key properties of 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea?

1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 46137998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).