N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H28N4O2 — CID 118744023

About N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 118744023) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
• PubChem CID: 118744023
• Molecular Formula: C18H28N4O2
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.22
• IUPAC Name: N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
• SMILES: Cc1noc(C)c1CN1CCCC2(CCN(C(=O)NC3CC3)C2)C1
• InChI: InChI=1S/C18H28N4O2/c1-13-16(14(2)24-20-13)10-21-8-3-6-18(11-21)7-9-22(12-18)17(23)19-15-4-5-15/h15H,3-12H2,1-2H3,(H,19,23)
• InChIKey: DPJUVMITDCBESL-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?

The IUPAC name of N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 118744023) is N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1noc(C)c1CN1CCCC2(CCN(C(=O)NC3CC3)C2)C1.

What is the InChIKey of N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?

The InChIKey is DPJUVMITDCBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-16(14(2)24-20-13)10-21-8-3-6-18(11-21)7-9-22(12-18)17(23)19-15-4-5-15/h15H,3-12H2,1-2H3,(H,19,23).

What are the key properties of N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?

N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118744023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).