1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C18H25F3N4O5 — CID 118744710

IUPAC1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O3.C2HF3O2/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22);(H,6,7)
InChIKeyDOJLNAAIKNOEBN-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.26
Rot. Bonds3

About 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744710) has the molecular formula C18H25F3N4O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744710
Molecular FormulaC18H25F3N4O5
Molecular Weight434.42 g/mol
Exact Mass434.18
IUPAC Name1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O3.C2HF3O2/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22);(H,6,7)
InChIKeyDOJLNAAIKNOEBN-UHFFFAOYSA-N
XLogP1.26
TPSA127.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 118744710) is 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DOJLNAAIKNOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.C2HF3O2/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22);(H,6,7).
What are the key properties of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 434.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).