N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

C20H28F3N3O5 — CID 155832191

IUPACN-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2CC3(CCC(CNC(=O)C4CCC4)CO3)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O3.C2HF3O2/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15;3-2(4,5)1(6)7/h7,14-15H,2-6,8-12H2,1H3,(H,19,22);(H,6,7)
InChIKeyMAJZRQKEYCUANP-UHFFFAOYSA-N
MW447.45 g/mol
LogP2.51
Rot. Bonds5

About N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155832191) has the molecular formula C20H28F3N3O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155832191
Molecular FormulaC20H28F3N3O5
Molecular Weight447.45 g/mol
Exact Mass447.20
IUPAC NameN-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2CC3(CCC(CNC(=O)C4CCC4)CO3)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O3.C2HF3O2/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15;3-2(4,5)1(6)7/h7,14-15H,2-6,8-12H2,1H3,(H,19,22);(H,6,7)
InChIKeyMAJZRQKEYCUANP-UHFFFAOYSA-N
XLogP2.51
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide
CID 124796877
N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 171692919
N-[[2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155836183
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171695459
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154888259
N-[[2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155848993
4a-(ethoxymethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155823841
7-(morpholin-4-ylmethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155833159
N-[[2-(cyclobutanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692659
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155861543
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methylpropanamide
CID 133143312
8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155833514

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (CID 155832191) is N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2CC3(CCC(CNC(=O)C4CCC4)CO3)C2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MAJZRQKEYCUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.C2HF3O2/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15;3-2(4,5)1(6)7/h7,14-15H,2-6,8-12H2,1H3,(H,19,22);(H,6,7).
What are the key properties of N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).