3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C21H20F3N5O2 — CID 16669866

IUPAC3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)on1
InChIInChI=1S/C21H20F3N5O2/c1-13-9-18(31-28-13)15-10-25-12-26-19(15)14-5-4-8-29(11-14)20(30)27-17-7-3-2-6-16(17)21(22,23)24/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,27,30)
InChIKeyOCRDMOFVKJVEAH-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.87
Rot. Bonds3

About 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 16669866) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID16669866
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)on1
InChIInChI=1S/C21H20F3N5O2/c1-13-9-18(31-28-13)15-10-25-12-26-19(15)14-5-4-8-29(11-14)20(30)27-17-7-3-2-6-16(17)21(22,23)24/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,27,30)
InChIKeyOCRDMOFVKJVEAH-UHFFFAOYSA-N
XLogP4.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 16669866) is 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)on1.
What is the InChIKey of 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OCRDMOFVKJVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-13-9-18(31-28-13)15-10-25-12-26-19(15)14-5-4-8-29(11-14)20(30)27-17-7-3-2-6-16(17)21(22,23)24/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,27,30).
What are the key properties of 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 16669866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).