1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone

C22H26FN3O4 — CID 124987082

IUPAC1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1
InChIInChI=1S/C22H26FN3O4/c1-15(27)25-8-6-17(7-9-25)22(28)26-10-11-29-20(14-26)21-24-13-19(30-21)12-16-2-4-18(23)5-3-16/h2-5,13,17,20H,6-12,14H2,1H3/t20-/m0/s1
InChIKeyODBVXGNDBIHGCB-FQEVSTJZSA-N
MW415.47 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone

1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 124987082) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID124987082
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1
InChIInChI=1S/C22H26FN3O4/c1-15(27)25-8-6-17(7-9-25)22(28)26-10-11-29-20(14-26)21-24-13-19(30-21)12-16-2-4-18(23)5-3-16/h2-5,13,17,20H,6-12,14H2,1H3/t20-/m0/s1
InChIKeyODBVXGNDBIHGCB-FQEVSTJZSA-N
XLogP2.56
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 124987082) is 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1.
What is the InChIKey of 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ODBVXGNDBIHGCB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-15(27)25-8-6-17(7-9-25)22(28)26-10-11-29-20(14-26)21-24-13-19(30-21)12-16-2-4-18(23)5-3-16/h2-5,13,17,20H,6-12,14H2,1H3/t20-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 415.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124987082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).