N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide

C25H26F3N3O2 — CID 22221034

IUPACN-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)21-9-6-19(7-10-21)24-20(16-29-33-24)8-11-23(32)30-22-12-14-31(15-13-22)17-18-4-2-1-3-5-18/h1-7,9-10,16,22H,8,11-15,17H2,(H,30,32)
InChIKeyTZTPEARUSIOOGG-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.07
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide

N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide (PubChem CID 22221034) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide
PubChem CID22221034
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)21-9-6-19(7-10-21)24-20(16-29-33-24)8-11-23(32)30-22-12-14-31(15-13-22)17-18-4-2-1-3-5-18/h1-7,9-10,16,22H,8,11-15,17H2,(H,30,32)
InChIKeyTZTPEARUSIOOGG-UHFFFAOYSA-N
XLogP5.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide (CID 22221034) is N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide is O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide?
The InChIKey is TZTPEARUSIOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c26-25(27,28)21-9-6-19(7-10-21)24-20(16-29-33-24)8-11-23(32)30-22-12-14-31(15-13-22)17-18-4-2-1-3-5-18/h1-7,9-10,16,22H,8,11-15,17H2,(H,30,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide has a molecular weight of 457.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 22221034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).