(2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C25H24N4O5 — CID 40809924

About (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 40809924) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 40809924
• Molecular Formula: C25H24N4O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.17
• IUPAC Name: (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: COc1ccc(C2=NN(C(=O)CN3C[C@H](C(N)=O)Oc4ccccc43)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C25H24N4O5/c1-32-17-10-8-16(9-11-17)18-13-20(21-7-4-12-33-21)29(27-18)24(30)15-28-14-23(25(26)31)34-22-6-3-2-5-19(22)28/h2-12,20,23H,13-15H2,1H3,(H2,26,31)/t20-,23-/m1/s1
• InChIKey: CNYKPOQNADWBSW-NFBKMPQASA-N
• XLogP: 2.72
• TPSA: 110.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 40809924) is (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is COc1ccc(C2=NN(C(=O)CN3C[C@H](C(N)=O)Oc4ccccc43)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is CNYKPOQNADWBSW-NFBKMPQASA-N. The full InChI is InChI=1S/C25H24N4O5/c1-32-17-10-8-16(9-11-17)18-13-20(21-7-4-12-33-21)29(27-18)24(30)15-28-14-23(25(26)31)34-22-6-3-2-5-19(22)28/h2-12,20,23H,13-15H2,1H3,(H2,26,31)/t20-,23-/m1/s1.

What are the key properties of (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

(2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 40809924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).