1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C19H21N5O3 — CID 71792067

About 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792067) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
• PubChem CID: 71792067
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
• SMILES: O=C(NCc1ccco1)NC1(c2nc(-c3ccncc3)no2)CCCCC1
• InChI: InChI=1S/C19H21N5O3/c25-18(21-13-15-5-4-12-26-15)23-19(8-2-1-3-9-19)17-22-16(24-27-17)14-6-10-20-11-7-14/h4-7,10-12H,1-3,8-9,13H2,(H2,21,23,25)
• InChIKey: RZZYPYGONOKOON-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 106.08 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	367.41
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?

The IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792067) is 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?

The canonical SMILES for 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is O=C(NCc1ccco1)NC1(c2nc(-c3ccncc3)no2)CCCCC1.

What is the InChIKey of 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?

The InChIKey is RZZYPYGONOKOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-18(21-13-15-5-4-12-26-15)23-19(8-2-1-3-9-19)17-22-16(24-27-17)14-6-10-20-11-7-14/h4-7,10-12H,1-3,8-9,13H2,(H2,21,23,25).

What are the key properties of 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?

1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 367.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).