1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone

C23H30FN3O2 — CID 110110786

IUPAC1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-18-6-5-7-19(24)14-18)8-12-27(13-9-23)21(28)17-26-10-3-2-4-11-26/h5-7,14,16H,2-4,8-13,15,17H2,1H3
InChIKeySGXDSWWXOCGSBZ-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone

1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 110110786) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID110110786
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-18-6-5-7-19(24)14-18)8-12-27(13-9-23)21(28)17-26-10-3-2-4-11-26/h5-7,14,16H,2-4,8-13,15,17H2,1H3
InChIKeySGXDSWWXOCGSBZ-UHFFFAOYSA-N
XLogP3.77
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone with MolForge

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Related Compounds

1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124941072
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
CID 110110461
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125014318
1-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124979474
3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
CID 110099324
[4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 110110228
1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 110111025
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125005494
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone (CID 110110786) is 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone is CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is SGXDSWWXOCGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-18-6-5-7-19(24)14-18)8-12-27(13-9-23)21(28)17-26-10-3-2-4-11-26/h5-7,14,16H,2-4,8-13,15,17H2,1H3.
What are the key properties of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone?
1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 399.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 110110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).