2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole

C16H21N3O2 — CID 126874266

IUPAC2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(COc3ccccn3)CC2)co1
InChIInChI=1S/C16H21N3O2/c1-13-18-15(12-20-13)10-19-8-5-14(6-9-19)11-21-16-4-2-3-7-17-16/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyWULMUZWHXZAGJP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole

2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126874266) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126874266
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(COc3ccccn3)CC2)co1
InChIInChI=1S/C16H21N3O2/c1-13-18-15(12-20-13)10-19-8-5-14(6-9-19)11-21-16-4-2-3-7-17-16/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyWULMUZWHXZAGJP-UHFFFAOYSA-N
XLogP2.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
US11026923, Example 129
CID 138746808
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 71694302
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)picolinamide
CID 71803926
1-[4-(6-Pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95843665
2-Methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95843684
3-Methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95843757
[(3aS,6aS)-3a-(pyridin-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1,3-oxazol-4-yl)methanone
CID 97421612
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1,3-oxazol-4-yl)methanone
CID 97422679
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-oxazol-4-yl)methanone
CID 97423051
3-methoxy-1-[(3S,4S)-3-pyridin-2-yl-4-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]propan-1-one
CID 110203297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole (CID 126874266) is 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCC(COc3ccccn3)CC2)co1.
What is the InChIKey of 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is WULMUZWHXZAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-18-15(12-20-13)10-19-8-5-14(6-9-19)11-21-16-4-2-3-7-17-16/h2-4,7,12,14H,5-6,8-11H2,1H3.
What are the key properties of 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole?
2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 287.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126874266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).