5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

C14H18F3N3O4 — CID 154891187

IUPAC5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCNCC1)c1cc(C2CC2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2.C2HF3O2/c16-12(14-9-3-5-13-6-4-9)10-7-11(17-15-10)8-1-2-8;3-2(4,5)1(6)7/h7-9,13H,1-6H2,(H,14,16);(H,6,7)
InChIKeyFVBXKNTVDGQPDU-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.67
Rot. Bonds3

About 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154891187) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154891187
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCNCC1)c1cc(C2CC2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2.C2HF3O2/c16-12(14-9-3-5-13-6-4-9)10-7-11(17-15-10)8-1-2-8;3-2(4,5)1(6)7/h7-9,13H,1-6H2,(H,14,16);(H,6,7)
InChIKeyFVBXKNTVDGQPDU-UHFFFAOYSA-N
XLogP1.67
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154891187) is 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCNCC1)c1cc(C2CC2)on1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FVBXKNTVDGQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C2HF3O2/c16-12(14-9-3-5-13-6-4-9)10-7-11(17-15-10)8-1-2-8;3-2(4,5)1(6)7/h7-9,13H,1-6H2,(H,14,16);(H,6,7).
What are the key properties of 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 349.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).