[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone

C16H18N2O3 — CID 22427451

IUPAC[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3cccc(O)c3)on2)CC1
InChIInChI=1S/C16H18N2O3/c1-11-5-7-18(8-6-11)16(20)14-10-15(21-17-14)12-3-2-4-13(19)9-12/h2-4,9-11,19H,5-8H2,1H3
InChIKeyRBUPJTZEUBGRFZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.92
Rot. Bonds2

About [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 22427451) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID22427451
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3cccc(O)c3)on2)CC1
InChIInChI=1S/C16H18N2O3/c1-11-5-7-18(8-6-11)16(20)14-10-15(21-17-14)12-3-2-4-13(19)9-12/h2-4,9-11,19H,5-8H2,1H3
InChIKeyRBUPJTZEUBGRFZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
(5-hydroxy-3,3-dimethylazepan-1-yl)-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 126840056
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
CID 146230148
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42822390
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 22427451) is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(-c3cccc(O)c3)on2)CC1.
What is the InChIKey of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RBUPJTZEUBGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-5-7-18(8-6-11)16(20)14-10-15(21-17-14)12-3-2-4-13(19)9-12/h2-4,9-11,19H,5-8H2,1H3.
What are the key properties of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 22427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).