(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H16F3N3O2 — CID 95903173

IUPAC(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(Cc2ccno2)C1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-16-11(19)9-2-1-5-18(6-9)7-10-3-4-17-20-10/h3-4,9H,1-2,5-8H2,(H,16,19)/t9-/m0/s1
InChIKeyNQJCXMARGIELPT-VIFPVBQESA-N
MW291.27 g/mol
LogP1.57
Rot. Bonds4

About (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 95903173) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID95903173
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(Cc2ccno2)C1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-16-11(19)9-2-1-5-18(6-9)7-10-3-4-17-20-10/h3-4,9H,1-2,5-8H2,(H,16,19)/t9-/m0/s1
InChIKeyNQJCXMARGIELPT-VIFPVBQESA-N
XLogP1.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 95903173) is (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN(Cc2ccno2)C1.
What is the InChIKey of (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NQJCXMARGIELPT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)8-16-11(19)9-2-1-5-18(6-9)7-10-3-4-17-20-10/h3-4,9H,1-2,5-8H2,(H,16,19)/t9-/m0/s1.
What are the key properties of (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95903173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).