(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C16H20F3N5O2 — CID 164630242

IUPAC(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C16H20F3N5O2/c1-10(2)12-8-14(22-26-12)20-15(25)23-6-3-4-11(9-23)24-7-5-13(21-24)16(17,18)19/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,20,22,25)/t11-/m0/s1
InChIKeyWUQAFIOCTMJJSQ-NSHDSACASA-N
MW371.36 g/mol
LogP3.88
Rot. Bonds3

About (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 164630242) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID164630242
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C16H20F3N5O2/c1-10(2)12-8-14(22-26-12)20-15(25)23-6-3-4-11(9-23)24-7-5-13(21-24)16(17,18)19/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,20,22,25)/t11-/m0/s1
InChIKeyWUQAFIOCTMJJSQ-NSHDSACASA-N
XLogP3.88
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 164630242) is (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CC(C)c1cc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)no1.
What is the InChIKey of (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is WUQAFIOCTMJJSQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-10(2)12-8-14(22-26-12)20-15(25)23-6-3-4-11(9-23)24-7-5-13(21-24)16(17,18)19/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,20,22,25)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 164630242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).