(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C23H21ClN4O5 — CID 125021100

About (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 125021100) has the molecular formula C23H21ClN4O5 and a molecular weight of 468.90 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• PubChem CID: 125021100
• Molecular Formula: C23H21ClN4O5
• Molecular Weight: 468.90 g/mol
• Exact Mass: 468.12
• IUPAC Name: (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• SMILES: Cc1nonc1COc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2
• InChI: InChI=1S/C23H21ClN4O5/c1-15-19(26-33-25-15)12-31-20-5-3-2-4-18(20)21(29)27-11-10-23(13-27)14-28(22(30)32-23)17-8-6-16(24)7-9-17/h2-9H,10-14H2,1H3/t23-/m1/s1
• InChIKey: YHKXZUTXMHWBEA-HSZRJFAPSA-N
• XLogP: 3.85
• TPSA: 98.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.90
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The IUPAC name of (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 125021100) is (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

What is the SMILES notation for (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The canonical SMILES for (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1nonc1COc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2.

What is the InChIKey of (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The InChIKey is YHKXZUTXMHWBEA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21ClN4O5/c1-15-19(26-33-25-15)12-31-20-5-3-2-4-18(20)21(29)27-11-10-23(13-27)14-28(22(30)32-23)17-8-6-16(24)7-9-17/h2-9H,10-14H2,1H3/t23-/m1/s1.

What are the key properties of (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 468.90 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 125021100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).