1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C23H25N3O3 — CID 95762540

About 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 95762540) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
• PubChem CID: 95762540
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
• SMILES: O=C1OCCN1c1cccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1
• InChI: InChI=1S/C23H25N3O3/c27-22(24-17-7-4-8-19(15-17)25-13-14-29-23(25)28)26(18-11-12-18)21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,18,21H,3,6,10-14H2,(H,24,27)/t21-/m1/s1
• InChIKey: DQNCZBSXXHJQGV-OAQYLSRUSA-N
• XLogP: 4.72
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?

The IUPAC name of 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 95762540) is 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?

The canonical SMILES for 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C1OCCN1c1cccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1.

What is the InChIKey of 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?

The InChIKey is DQNCZBSXXHJQGV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(24-17-7-4-8-19(15-17)25-13-14-29-23(25)28)26(18-11-12-18)21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,18,21H,3,6,10-14H2,(H,24,27)/t21-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?

1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 391.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 95762540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).