[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

C19H24N2O5 — CID 162800374

IUPAC[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H24N2O5/c1-12(22)18-16(19(23)21-9-5-4-6-10-21)17(20-26-18)13-7-8-14(24-2)15(11-13)25-3/h7-8,11-12,22H,4-6,9-10H2,1-3H3
InChIKeyYIFMLSWQGBZDIV-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.04
Rot. Bonds5

About [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 162800374) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID162800374
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H24N2O5/c1-12(22)18-16(19(23)21-9-5-4-6-10-21)17(20-26-18)13-7-8-14(24-2)15(11-13)25-3/h7-8,11-12,22H,4-6,9-10H2,1-3H3
InChIKeyYIFMLSWQGBZDIV-UHFFFAOYSA-N
XLogP3.04
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3,4-dimethoxyphenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124876165
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162793287
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 124875106
3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 162800240
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 124876643
[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878541
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162800210

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (CID 162800374) is [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is COc1ccc(-c2noc(C(C)O)c2C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YIFMLSWQGBZDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12(22)18-16(19(23)21-9-5-4-6-10-21)17(20-26-18)13-7-8-14(24-2)15(11-13)25-3/h7-8,11-12,22H,4-6,9-10H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 360.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 162800374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).