1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

C20H21N3O4 — CID 52532141

About 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (PubChem CID 52532141) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
• PubChem CID: 52532141
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
• SMILES: O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(CN2CCOC2=O)c1
• InChI: InChI=1S/C20H21N3O4/c24-19(21-12-17-11-15-5-1-2-7-18(15)27-17)22-16-6-3-4-14(10-16)13-23-8-9-26-20(23)25/h1-7,10,17H,8-9,11-13H2,(H2,21,22,24)/t17-/m0/s1
• InChIKey: YRVOCJJUTRECME-KRWDZBQOSA-N
• XLogP: 2.76
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?

The IUPAC name of 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (CID 52532141) is 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.

What is the SMILES notation for 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?

The canonical SMILES for 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(CN2CCOC2=O)c1.

What is the InChIKey of 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?

The InChIKey is YRVOCJJUTRECME-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(21-12-17-11-15-5-1-2-7-18(15)27-17)22-16-6-3-4-14(10-16)13-23-8-9-26-20(23)25/h1-7,10,17H,8-9,11-13H2,(H2,21,22,24)/t17-/m0/s1.

What are the key properties of 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?

1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea has a molecular weight of 367.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is sourced from PubChem (CID 52532141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).