5-cyclopropyl-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

C22H20N6O4 — CID 136615605

About 5-cyclopropyl-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-cyclopropyl-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 136615605) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 5-cyclopropyl-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-cyclopropyl-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: 136615605
• Molecular Formula: C22H20N6O4
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.15
• IUPAC Name: 5-cyclopropyl-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(C2CC2)on1
• InChI: InChI=1S/C22H20N6O4/c29-20-13-4-1-2-5-14(13)23-22(25-20)28-19(11-15(26-28)17-6-3-9-31-17)24-21(30)16-10-18(32-27-16)12-7-8-12/h3,6,9-12H,1-2,4-5,7-8H2,(H,24,30)(H,23,25,29)
• InChIKey: IKYGPNVWTGLMQY-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 131.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-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-cyclopropyl-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 136615605) is 5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C2CC2)on1.

What is the InChIKey of 5-cyclopropyl-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 IKYGPNVWTGLMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c29-20-13-4-1-2-5-14(13)23-22(25-20)28-19(11-15(26-28)17-6-3-9-31-17)24-21(30)16-10-18(32-27-16)12-7-8-12/h3,6,9-12H,1-2,4-5,7-8H2,(H,24,30)(H,23,25,29).

What are the key properties of 5-cyclopropyl-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-cyclopropyl-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 432.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-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 136615605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).