1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea

C19H22N4O4 — CID 97454974

About 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea

1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea (PubChem CID 97454974) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea
• PubChem CID: 97454974
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea
• SMILES: Cn1c(=O)oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cc21
• InChI: InChI=1S/C19H22N4O4/c1-22-14-11-13(6-7-17(14)27-19(22)25)21-18(24)20-12-15(16-5-4-10-26-16)23-8-2-3-9-23/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H2,20,21,24)/t15-/m1/s1
• InChIKey: DVKKHOHMYXIROZ-OAHLLOKOSA-N
• XLogP: 2.68
• TPSA: 92.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea?

The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea (CID 97454974) is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea.

What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea?

The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea is Cn1c(=O)oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cc21.

What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea?

The InChIKey is DVKKHOHMYXIROZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-14-11-13(6-7-17(14)27-19(22)25)21-18(24)20-12-15(16-5-4-10-26-16)23-8-2-3-9-23/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H2,20,21,24)/t15-/m1/s1.

What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea?

1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea has a molecular weight of 370.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 97454974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).