[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H21F6N7O2 — CID 171533369

IUPAC[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3nc(C(F)(F)F)co3)C2)C1
InChIInChI=1S/C20H21F6N7O2/c21-19(22,23)13-4-35-14(28-13)3-30-5-18(6-30)9-32(10-18)16(34)31-7-17(8-31)1-12(2-17)33-11-27-15(29-33)20(24,25)26/h4,11-12H,1-3,5-10H2
InChIKeyBIYBAZMKKALQSM-UHFFFAOYSA-N
MW505.42 g/mol
LogP2.88
Rot. Bonds3

About [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533369) has the molecular formula C20H21F6N7O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID171533369
Molecular FormulaC20H21F6N7O2
Molecular Weight505.42 g/mol
Exact Mass505.17
IUPAC Name[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3nc(C(F)(F)F)co3)C2)C1
InChIInChI=1S/C20H21F6N7O2/c21-19(22,23)13-4-35-14(28-13)3-30-5-18(6-30)9-32(10-18)16(34)31-7-17(8-31)1-12(2-17)33-11-27-15(29-33)20(24,25)26/h4,11-12H,1-3,5-10H2
InChIKeyBIYBAZMKKALQSM-UHFFFAOYSA-N
XLogP2.88
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533369) is [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3nc(C(F)(F)F)co3)C2)C1.
What is the InChIKey of [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is BIYBAZMKKALQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N7O2/c21-19(22,23)13-4-35-14(28-13)3-30-5-18(6-30)9-32(10-18)16(34)31-7-17(8-31)1-12(2-17)33-11-27-15(29-33)20(24,25)26/h4,11-12H,1-3,5-10H2.
What are the key properties of [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 505.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).