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

C22H22F3N5O2 — CID 2738152

IUPACN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H22F3N5O2/c1-14-17(19(29-32-14)15-5-3-2-4-6-15)13-27-20(31)16-8-11-30(12-9-16)21-26-10-7-18(28-21)22(23,24)25/h2-7,10,16H,8-9,11-13H2,1H3,(H,27,31)
InChIKeyRWBBPVOAWAYLSY-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.99
Rot. Bonds5

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

N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 2738152) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID2738152
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H22F3N5O2/c1-14-17(19(29-32-14)15-5-3-2-4-6-15)13-27-20(31)16-8-11-30(12-9-16)21-26-10-7-18(28-21)22(23,24)25/h2-7,10,16H,8-9,11-13H2,1H3,(H,27,31)
InChIKeyRWBBPVOAWAYLSY-UHFFFAOYSA-N
XLogP3.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 2738152) is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is Cc1onc(-c2ccccc2)c1CNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is RWBBPVOAWAYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-14-17(19(29-32-14)15-5-3-2-4-6-15)13-27-20(31)16-8-11-30(12-9-16)21-26-10-7-18(28-21)22(23,24)25/h2-7,10,16H,8-9,11-13H2,1H3,(H,27,31).
What are the key properties of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2738152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).