[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone

C15H15ClN2O3 — CID 111477052

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1conc1-c1ccc(Cl)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H15ClN2O3/c16-11-5-3-10(4-6-11)14-13(9-21-17-14)15(20)18-7-1-2-12(19)8-18/h3-6,9,12,19H,1-2,7-8H2
InChIKeyFOFOUJVDEGCIBQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.59
Rot. Bonds2

About [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111477052) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111477052
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1conc1-c1ccc(Cl)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H15ClN2O3/c16-11-5-3-10(4-6-11)14-13(9-21-17-14)15(20)18-7-1-2-12(19)8-18/h3-6,9,12,19H,1-2,7-8H2
InChIKeyFOFOUJVDEGCIBQ-UHFFFAOYSA-N
XLogP2.59
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 129381228
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491249
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170256
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 92570029
(4-chloro-2-nitrophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224582
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103993791
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 111477052) is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1conc1-c1ccc(Cl)cc1)N1CCCC(O)C1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is FOFOUJVDEGCIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-5-3-10(4-6-11)14-13(9-21-17-14)15(20)18-7-1-2-12(19)8-18/h3-6,9,12,19H,1-2,7-8H2.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 306.75 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111477052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).