4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole

C20H28N2O2 — CID 45208474

IUPAC4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
SMILESCOCCC1CCCCN1Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C20H28N2O2/c1-15-8-4-5-10-18(15)20-21-19(16(2)24-20)14-22-12-7-6-9-17(22)11-13-23-3/h4-5,8,10,17H,6-7,9,11-14H2,1-3H3
InChIKeyQZKLBYVMKOOGPT-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.35
Rot. Bonds6

About 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole

4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole (PubChem CID 45208474) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
PubChem CID45208474
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
SMILESCOCCC1CCCCN1Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C20H28N2O2/c1-15-8-4-5-10-18(15)20-21-19(16(2)24-20)14-22-12-7-6-9-17(22)11-13-23-3/h4-5,8,10,17H,6-7,9,11-14H2,1-3H3
InChIKeyQZKLBYVMKOOGPT-UHFFFAOYSA-N
XLogP4.35
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 29181380
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
ethyl 2-[1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 45189467
ethyl 2-[(2S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42453482
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
(2R)-1-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172088

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole (CID 45208474) is 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole is COCCC1CCCCN1Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The InChIKey is QZKLBYVMKOOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-8-4-5-10-18(15)20-21-19(16(2)24-20)14-22-12-7-6-9-17(22)11-13-23-3/h4-5,8,10,17H,6-7,9,11-14H2,1-3H3.
What are the key properties of 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole has a molecular weight of 328.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 45208474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).