1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C18H19N3O3 — CID 95189519

About 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 95189519) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• PubChem CID: 95189519
• Molecular Formula: C18H19N3O3
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.14
• IUPAC Name: 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• SMILES: Cc1cc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)no1
• InChI: InChI=1S/C18H19N3O3/c1-12-8-16(21-24-12)10-19-18(23)20-11-17(22)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,17,22H,10-11H2,1H3,(H2,19,20,23)/t17-/m1/s1
• InChIKey: ALTCUGINBRWLMI-QGZVFWFLSA-N
• XLogP: 2.67
• TPSA: 87.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The IUPAC name of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 95189519) is 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

What is the SMILES notation for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The canonical SMILES for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)no1.

What is the InChIKey of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The InChIKey is ALTCUGINBRWLMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-8-16(21-24-12)10-19-18(23)20-11-17(22)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,17,22H,10-11H2,1H3,(H2,19,20,23)/t17-/m1/s1.

What are the key properties of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 325.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 95189519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).