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

C19H25FN2O3 — CID 42210352

IUPAC2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1
InChIInChI=1S/C19H25FN2O3/c1-14-18(21-19(25-14)15-3-5-16(20)6-4-15)13-22-9-7-17(8-10-22)24-12-11-23-2/h3-6,17H,7-13H2,1-2H3
InChIKeyXYRSJGNBMJVODZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.42
Rot. Bonds7

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

2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42210352) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42210352
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1
InChIInChI=1S/C19H25FN2O3/c1-14-18(21-19(25-14)15-3-5-16(20)6-4-15)13-22-9-7-17(8-10-22)24-12-11-23-2/h3-6,17H,7-13H2,1-2H3
InChIKeyXYRSJGNBMJVODZ-UHFFFAOYSA-N
XLogP3.42
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
methyl 4-[4-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42381184
4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole
CID 172549653
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 26322515
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42210352) is 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COCCOC1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is XYRSJGNBMJVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-14-18(21-19(25-14)15-3-5-16(20)6-4-15)13-22-9-7-17(8-10-22)24-12-11-23-2/h3-6,17H,7-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 348.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42210352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).