N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C14H18F3N5O2 — CID 131682458

About N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682458) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 131682458
• Molecular Formula: C14H18F3N5O2
• Molecular Weight: 345.33 g/mol
• Exact Mass: 345.14
• IUPAC Name: N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: CNC(=O)C1=NOC2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1
• InChI: InChI=1S/C14H18F3N5O2/c1-18-12(23)9-5-13(24-21-9)3-2-4-22(8-13)7-11-19-6-10(20-11)14(15,16)17/h6H,2-5,7-8H2,1H3,(H,18,23)(H,19,20)
• InChIKey: NARRKTBMGMNVMQ-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 82.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.33
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682458) is N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CNC(=O)C1=NOC2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1.

What is the InChIKey of N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is NARRKTBMGMNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-18-12(23)9-5-13(24-21-9)3-2-4-22(8-13)7-11-19-6-10(20-11)14(15,16)17/h6H,2-5,7-8H2,1H3,(H,18,23)(H,19,20).

What are the key properties of N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).