2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide

C23H24FN3O2 — CID 26742909

IUPAC2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-19-8-6-16(7-9-19)22-14-21(27-29-22)12-18-15-25-11-10-17(18)13-23(28)26-20-4-2-1-3-5-20/h1-9,14,17-18,25H,10-13,15H2,(H,26,28)/t17-,18-/m0/s1
InChIKeyNVVIBQPEZBICOY-ROUUACIJSA-N
MW393.46 g/mol
LogP4.28
Rot. Bonds6

About 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide

2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 26742909) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID26742909
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-19-8-6-16(7-9-19)22-14-21(27-29-22)12-18-15-25-11-10-17(18)13-23(28)26-20-4-2-1-3-5-20/h1-9,14,17-18,25H,10-13,15H2,(H,26,28)/t17-,18-/m0/s1
InChIKeyNVVIBQPEZBICOY-ROUUACIJSA-N
XLogP4.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (CID 26742909) is 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is NVVIBQPEZBICOY-ROUUACIJSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-8-6-16(7-9-19)22-14-21(27-29-22)12-18-15-25-11-10-17(18)13-23(28)26-20-4-2-1-3-5-20/h1-9,14,17-18,25H,10-13,15H2,(H,26,28)/t17-,18-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide has a molecular weight of 393.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 26742909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).