4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

C17H24N2O3S — CID 42379670

IUPAC4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3cccs3)oc2C)CC1
InChIInChI=1S/C17H24N2O3S/c1-13-15(18-17(22-13)16-4-3-11-23-16)12-19-7-5-14(6-8-19)21-10-9-20-2/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyWOFLPEFKNZJIOE-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.34
Rot. Bonds7

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

4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 42379670) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID42379670
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3cccs3)oc2C)CC1
InChIInChI=1S/C17H24N2O3S/c1-13-15(18-17(22-13)16-4-3-11-23-16)12-19-7-5-14(6-8-19)21-10-9-20-2/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyWOFLPEFKNZJIOE-UHFFFAOYSA-N
XLogP3.34
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 131899226
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 77097380
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 42379670) is 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is COCCOC1CCN(Cc2nc(-c3cccs3)oc2C)CC1.
What is the InChIKey of 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is WOFLPEFKNZJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-15(18-17(22-13)16-4-3-11-23-16)12-19-7-5-14(6-8-19)21-10-9-20-2/h3-4,11,14H,5-10,12H2,1-2H3.
What are the key properties of 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 336.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 42379670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).