(5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H29N3O3 — CID 126454370

About (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126454370) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 126454370
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: O=C(c1onc2c1CCCC2)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
• InChI: InChI=1S/C21H29N3O3/c25-19(18-16-7-1-2-8-17(16)22-27-18)24-12-10-21(14-24)9-4-11-23(20(21)26)13-15-5-3-6-15/h15H,1-14H2/t21-/m1/s1
• InChIKey: KSKFZTFCVJXGFF-OAQYLSRUSA-N
• XLogP: 2.81
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126454370) is (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1onc2c1CCCC2)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.

What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is KSKFZTFCVJXGFF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19(18-16-7-1-2-8-17(16)22-27-18)24-12-10-21(14-24)9-4-11-23(20(21)26)13-15-5-3-6-15/h15H,1-14H2/t21-/m1/s1.

What are the key properties of (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

(5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126454370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).