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

C23H26FN3O2S — CID 45222727

IUPACN-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1oc(-c2cccs2)nc1CN1CCCC(CCC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C23H26FN3O2S/c1-16-20(26-23(29-16)21-9-5-13-30-21)15-27-12-4-6-17(14-27)10-11-22(28)25-19-8-3-2-7-18(19)24/h2-3,5,7-9,13,17H,4,6,10-12,14-15H2,1H3,(H,25,28)
InChIKeyWNHHNSZCDUGQRK-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.48
Rot. Bonds7

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

N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45222727) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45222727
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1oc(-c2cccs2)nc1CN1CCCC(CCC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C23H26FN3O2S/c1-16-20(26-23(29-16)21-9-5-13-30-21)15-27-12-4-6-17(14-27)10-11-22(28)25-19-8-3-2-7-18(19)24/h2-3,5,7-9,13,17H,4,6,10-12,14-15H2,1H3,(H,25,28)
InChIKeyWNHHNSZCDUGQRK-UHFFFAOYSA-N
XLogP5.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 45222727) is N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide is Cc1oc(-c2cccs2)nc1CN1CCCC(CCC(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is WNHHNSZCDUGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-16-20(26-23(29-16)21-9-5-13-30-21)15-27-12-4-6-17(14-27)10-11-22(28)25-19-8-3-2-7-18(19)24/h2-3,5,7-9,13,17H,4,6,10-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45222727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).