1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea

C19H23N5O3 — CID 126428635

About 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea

1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea (PubChem CID 126428635) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea.

Molecular Properties

• Compound Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea
• PubChem CID: 126428635
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea
• SMILES: CN(Cc1ccc2nonc2c1)C(=O)NC[C@H](c1ccco1)N1CCCC1
• InChI: InChI=1S/C19H23N5O3/c1-23(13-14-6-7-15-16(11-14)22-27-21-15)19(25)20-12-17(18-5-4-10-26-18)24-8-2-3-9-24/h4-7,10-11,17H,2-3,8-9,12-13H2,1H3,(H,20,25)/t17-/m1/s1
• InChIKey: AFJKHAYTZXOUDF-QGZVFWFLSA-N
• XLogP: 2.79
• TPSA: 87.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea?

The IUPAC name of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea (CID 126428635) is 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea.

What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea?

The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea is CN(Cc1ccc2nonc2c1)C(=O)NC[C@H](c1ccco1)N1CCCC1.

What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea?

The InChIKey is AFJKHAYTZXOUDF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23(13-14-6-7-15-16(11-14)22-27-21-15)19(25)20-12-17(18-5-4-10-26-18)24-8-2-3-9-24/h4-7,10-11,17H,2-3,8-9,12-13H2,1H3,(H,20,25)/t17-/m1/s1.

What are the key properties of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea?

1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea has a molecular weight of 369.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylurea is sourced from PubChem (CID 126428635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).