3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid

C17H26F3N5O5 — CID 118742887

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N5O3.C2HF3O2/c1-10(2)17-15(22)20-7-5-12-11(9-20)13(18-23-12)14(21)16-6-8-19(3)4;3-2(4,5)1(6)7/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22);(H,6,7)
InChIKeyPDHXAVWVXSVCFX-UHFFFAOYSA-N
MW437.42 g/mol
LogP1.08
Rot. Bonds5

About 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid

3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742887) has the molecular formula C17H26F3N5O5 and a molecular weight of 437.42 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742887
Molecular FormulaC17H26F3N5O5
Molecular Weight437.42 g/mol
Exact Mass437.19
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N5O3.C2HF3O2/c1-10(2)17-15(22)20-7-5-12-11(9-20)13(18-23-12)14(21)16-6-8-19(3)4;3-2(4,5)1(6)7/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22);(H,6,7)
InChIKeyPDHXAVWVXSVCFX-UHFFFAOYSA-N
XLogP1.08
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N,N-dimethyl-5-[4-(1-piperidinyl)butanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 72917960
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97404558
3-N-[2-(dimethylamino)ethyl]-5-N,5-N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
CID 97515405
3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
CID 97515407
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118742892
N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118745658
[4-oxo-1-(2-oxopiperidin-1-yl)-4-[3-(trifluoromethyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]butan-2-yl]carbamic acid
CID 66969754
5-ethyl-4-(fluoromethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027564
5-ethyl-4-(1-fluoroethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027573
tert-butyl 3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 155154954
N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 155154976
tert-butyl 3-(6,6-difluoro-4-azaspiro[2.4]heptane-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 155255195

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid (CID 118742887) is 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PDHXAVWVXSVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3.C2HF3O2/c1-10(2)17-15(22)20-7-5-12-11(9-20)13(18-23-12)14(21)16-6-8-19(3)4;3-2(4,5)1(6)7/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22);(H,6,7).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid?
3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 437.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).