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

C24H26FN3O2 — CID 24605354

IUPACN-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26FN3O2/c25-21-9-5-4-8-20(21)22-16-26-24(30-22)11-10-23(29)27-19-12-14-28(15-13-19)17-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,27,29)
InChIKeyUGEGKMLCKOIXLE-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.19
Rot. Bonds7

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

N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 24605354) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID24605354
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26FN3O2/c25-21-9-5-4-8-20(21)22-16-26-24(30-22)11-10-23(29)27-19-12-14-28(15-13-19)17-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,27,29)
InChIKeyUGEGKMLCKOIXLE-UHFFFAOYSA-N
XLogP4.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.19
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-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 24605354) is N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is UGEGKMLCKOIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-9-5-4-8-20(21)22-16-26-24(30-22)11-10-23(29)27-19-12-14-28(15-13-19)17-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,27,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 407.49 g/mol, XLogP of 4.19, 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-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24605354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).