N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

C19H22F3N3O5 — CID 44602326

IUPACN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O3.C2HF3O2/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-3,5-6,13H,4,7-12H2,(H,18,21);(H,6,7)
InChIKeyORFFWCYMBAVNAZ-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.43
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44602326) has the molecular formula C19H22F3N3O5 and a molecular weight of 429.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44602326
Molecular FormulaC19H22F3N3O5
Molecular Weight429.40 g/mol
Exact Mass429.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O3.C2HF3O2/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-3,5-6,13H,4,7-12H2,(H,18,21);(H,6,7)
InChIKeyORFFWCYMBAVNAZ-UHFFFAOYSA-N
XLogP2.43
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
5-[(4-acetamidophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335935
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745480
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877205
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44602326) is N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ORFFWCYMBAVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.C2HF3O2/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-3,5-6,13H,4,7-12H2,(H,18,21);(H,6,7).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 429.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44602326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).