8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

C18H22F3N5O4 — CID 118744621

IUPAC8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O2.C2HF3O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14;3-2(4,5)1(6)7/h2-3,5,7H,4,6,8-12H2,1H3;(H,6,7)
InChIKeyNGWFOOBGKQHYQB-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.28
Rot. Bonds2

About 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (PubChem CID 118744621) has the molecular formula C18H22F3N5O4 and a molecular weight of 429.40 g/mol. Its IUPAC name is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
PubChem CID118744621
Molecular FormulaC18H22F3N5O4
Molecular Weight429.40 g/mol
Exact Mass429.16
IUPAC Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O2.C2HF3O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14;3-2(4,5)1(6)7/h2-3,5,7H,4,6,8-12H2,1H3;(H,6,7)
InChIKeyNGWFOOBGKQHYQB-UHFFFAOYSA-N
XLogP2.28
TPSA104.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

8-(5-Methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118744622
8-(5-Methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746421
8-(5-Methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118747116
8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743299
4-Pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744300
5-Methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118744405
2-Methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118745172
2-(Dimethylamino)-1-[8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746335
8-(5-Methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746420
8-(5-Methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747115
2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-4-[3-methyl-5-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-2-pyridinyl]-1,2,4-triazol-3-one;2,2,2-trifluoroacetic acid
CID 154928338
2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-7-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2,2,2-trifluoroacetic acid
CID 154983524

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (CID 118744621) is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is Cc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The InChIKey is NGWFOOBGKQHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.C2HF3O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14;3-2(4,5)1(6)7/h2-3,5,7H,4,6,8-12H2,1H3;(H,6,7).
What are the key properties of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid has a molecular weight of 429.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).