N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

C19H26F3N3O5 — CID 127021282

IUPACN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3.C2HF3O2/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15;3-2(4,5)1(6)7/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21);(H,6,7)/t12-,15+,16-;/m0./s1
InChIKeyOXCUFJIXAYWNGC-AYMCMBARSA-N
MW433.43 g/mol
LogP2.38
Rot. Bonds3

About N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127021282) has the molecular formula C19H26F3N3O5 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127021282
Molecular FormulaC19H26F3N3O5
Molecular Weight433.43 g/mol
Exact Mass433.18
IUPAC NameN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3.C2HF3O2/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15;3-2(4,5)1(6)7/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21);(H,6,7)/t12-,15+,16-;/m0./s1
InChIKeyOXCUFJIXAYWNGC-AYMCMBARSA-N
XLogP2.38
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 127021282) is N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OXCUFJIXAYWNGC-AYMCMBARSA-N. The full InChI is InChI=1S/C17H25N3O3.C2HF3O2/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15;3-2(4,5)1(6)7/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21);(H,6,7)/t12-,15+,16-;/m0./s1.
What are the key properties of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127021282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).