N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

C12H16F3N3O4 — CID 2738871

IUPACN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CCNCC1)c1ccno1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O2.C2HF3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8;3-2(4,5)1(6)7/h3,6,8,11H,1-2,4-5,7H2,(H,12,14);(H,6,7)
InChIKeyDBJBRJPYDJDLDT-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.04
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 2738871) has the molecular formula C12H16F3N3O4 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID2738871
Molecular FormulaC12H16F3N3O4
Molecular Weight323.27 g/mol
Exact Mass323.11
IUPAC NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CCNCC1)c1ccno1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O2.C2HF3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8;3-2(4,5)1(6)7/h3,6,8,11H,1-2,4-5,7H2,(H,12,14);(H,6,7)
InChIKeyDBJBRJPYDJDLDT-UHFFFAOYSA-N
XLogP1.04
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 2738871) is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CCNCC1)c1ccno1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DBJBRJPYDJDLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C2HF3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8;3-2(4,5)1(6)7/h3,6,8,11H,1-2,4-5,7H2,(H,12,14);(H,6,7).
What are the key properties of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 323.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 2738871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).