5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide

C23H18N6O5 — CID 136615607

About 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 136615607) has the molecular formula C23H18N6O5 and a molecular weight of 458.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 136615607
• Molecular Formula: C23H18N6O5
• Molecular Weight: 458.43 g/mol
• Exact Mass: 458.13
• IUPAC Name: 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cc(-c2ccco2)on1
• InChI: InChI=1S/C23H18N6O5/c30-21-13-5-1-2-6-14(13)24-23(26-21)29-20(12-15(27-29)17-7-3-9-32-17)25-22(31)16-11-19(34-28-16)18-8-4-10-33-18/h3-4,7-12H,1-2,5-6H2,(H,25,31)(H,24,26,30)
• InChIKey: AODISYCMTCQKGD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 144.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.43
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide (CID 136615607) is 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cc(-c2ccco2)on1.

What is the InChIKey of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is AODISYCMTCQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O5/c30-21-13-5-1-2-6-14(13)24-23(26-21)29-20(12-15(27-29)17-7-3-9-32-17)25-22(31)16-11-19(34-28-16)18-8-4-10-33-18/h3-4,7-12H,1-2,5-6H2,(H,25,31)(H,24,26,30).

What are the key properties of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 458.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).