1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol

C16H20N2O3 — CID 48631711

IUPAC1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2cnc(CN3CCCC(O)C3)o2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-14-6-4-12(5-7-14)15-9-17-16(21-15)11-18-8-2-3-13(19)10-18/h4-7,9,13,19H,2-3,8,10-11H2,1H3
InChIKeyXDKZJBZKQGFPBO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.31
Rot. Bonds4

About 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol

1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol (PubChem CID 48631711) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
PubChem CID48631711
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2cnc(CN3CCCC(O)C3)o2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-14-6-4-12(5-7-14)15-9-17-16(21-15)11-18-8-2-3-13(19)10-18/h4-7,9,13,19H,2-3,8,10-11H2,1H3
InChIKeyXDKZJBZKQGFPBO-UHFFFAOYSA-N
XLogP2.31
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 71885006
5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 56781184
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 56502007
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol (CID 48631711) is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol is COc1ccc(-c2cnc(CN3CCCC(O)C3)o2)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is XDKZJBZKQGFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-14-6-4-12(5-7-14)15-9-17-16(21-15)11-18-8-2-3-13(19)10-18/h4-7,9,13,19H,2-3,8,10-11H2,1H3.
What are the key properties of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol?
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 48631711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).