1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea

C16H21N3O4 — CID 95133717

About 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea

1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 95133717) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
• PubChem CID: 95133717
• Molecular Formula: C16H21N3O4
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.15
• IUPAC Name: 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
• SMILES: COC[C@H](O)CN(C)C(=O)NCc1cc(-c2ccccc2)no1
• InChI: InChI=1S/C16H21N3O4/c1-19(10-13(20)11-22-2)16(21)17-9-14-8-15(18-23-14)12-6-4-3-5-7-12/h3-8,13,20H,9-11H2,1-2H3,(H,17,21)/t13-/m1/s1
• InChIKey: XMBOUVAUSRNZER-CYBMUJFWSA-N
• XLogP: 1.49
• TPSA: 87.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea?

The IUPAC name of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea (CID 95133717) is 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea.

What is the SMILES notation for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea?

The canonical SMILES for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea is COC[C@H](O)CN(C)C(=O)NCc1cc(-c2ccccc2)no1.

What is the InChIKey of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea?

The InChIKey is XMBOUVAUSRNZER-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-19(10-13(20)11-22-2)16(21)17-9-14-8-15(18-23-14)12-6-4-3-5-7-12/h3-8,13,20H,9-11H2,1-2H3,(H,17,21)/t13-/m1/s1.

What are the key properties of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea?

1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 319.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 95133717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).