N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C27H29F3N4O4 — CID 46207887

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 46207887) has the molecular formula C27H29F3N4O4 and a molecular weight of 530.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• PubChem CID: 46207887
• Molecular Formula: C27H29F3N4O4
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.21
• IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• SMILES: Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OCc4ccc(C(F)(F)F)cn4)cc2)CO3)c1C
• InChI: InChI=1S/C27H29F3N4O4/c1-17-18(2)33-38-24(17)32-25(35)34-11-9-26(10-12-34)13-20(15-37-26)19-3-7-23(8-4-19)36-16-22-6-5-21(14-31-22)27(28,29)30/h3-8,14,20H,9-13,15-16H2,1-2H3,(H,32,35)
• InChIKey: LQEVNEFLOIRMNG-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 46207887) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OCc4ccc(C(F)(F)F)cn4)cc2)CO3)c1C.

What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?

The InChIKey is LQEVNEFLOIRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O4/c1-17-18(2)33-38-24(17)32-25(35)34-11-9-26(10-12-34)13-20(15-37-26)19-3-7-23(8-4-19)36-16-22-6-5-21(14-31-22)27(28,29)30/h3-8,14,20H,9-13,15-16H2,1-2H3,(H,32,35).

What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 530.55 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46207887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).