3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

C17H19BrN2O3 — CID 22221165

IUPAC3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1cnoc1-c1ccc(Br)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H19BrN2O3/c18-14-4-1-12(2-5-14)17-13(11-19-23-17)3-6-16(22)20-9-7-15(21)8-10-20/h1-2,4-5,11,15,21H,3,6-10H2
InChIKeyJPMSKUKXLDZJHL-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.02
Rot. Bonds4

About 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 22221165) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID22221165
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1cnoc1-c1ccc(Br)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H19BrN2O3/c18-14-4-1-12(2-5-14)17-13(11-19-23-17)3-6-16(22)20-9-7-15(21)8-10-20/h1-2,4-5,11,15,21H,3,6-10H2
InChIKeyJPMSKUKXLDZJHL-UHFFFAOYSA-N
XLogP3.02
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221481
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one
CID 22221218
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 22221011
3-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221046
N-[(3S)-1-[3-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]propanoyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 87889818
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100759851
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
3-(3-bromo-4-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417277
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 22221165) is 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCc1cnoc1-c1ccc(Br)cc1)N1CCC(O)CC1.
What is the InChIKey of 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is JPMSKUKXLDZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c18-14-4-1-12(2-5-14)17-13(11-19-23-17)3-6-16(22)20-9-7-15(21)8-10-20/h1-2,4-5,11,15,21H,3,6-10H2.
What are the key properties of 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 379.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 22221165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).