[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

C18H21FN2O3 — CID 68734564

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)C1CCCN(C(=O)c2cnoc2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2O3/c1-18(2,23)13-4-3-9-21(11-13)17(22)15-10-20-24-16(15)12-5-7-14(19)8-6-12/h5-8,10,13,23H,3-4,9,11H2,1-2H3
InChIKeyNDXSPOFUWUVUTI-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.10
Rot. Bonds3

About [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 68734564) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
PubChem CID68734564
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)C1CCCN(C(=O)c2cnoc2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2O3/c1-18(2,23)13-4-3-9-21(11-13)17(22)15-10-20-24-16(15)12-5-7-14(19)8-6-12/h5-8,10,13,23H,3-4,9,11H2,1-2H3
InChIKeyNDXSPOFUWUVUTI-UHFFFAOYSA-N
XLogP3.10
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 68734564) is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is CC(C)(O)C1CCCN(C(=O)c2cnoc2-c2ccc(F)cc2)C1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The InChIKey is NDXSPOFUWUVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-18(2,23)13-4-3-9-21(11-13)17(22)15-10-20-24-16(15)12-5-7-14(19)8-6-12/h5-8,10,13,23H,3-4,9,11H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 68734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).