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

C19H24F2N2O2 — CID 29181380

IUPAC2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCC[C@H]1CCCCN1Cc1nc(-c2cccc(F)c2F)oc1C
InChIInChI=1S/C19H24F2N2O2/c1-13-17(12-23-10-4-3-6-14(23)9-11-24-2)22-19(25-13)15-7-5-8-16(20)18(15)21/h5,7-8,14H,3-4,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCDFPYAHMUCLQNI-CQSZACIVSA-N
MW350.41 g/mol
LogP4.32
Rot. Bonds6

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

2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 29181380) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID29181380
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCC[C@H]1CCCCN1Cc1nc(-c2cccc(F)c2F)oc1C
InChIInChI=1S/C19H24F2N2O2/c1-13-17(12-23-10-4-3-6-14(23)9-11-24-2)22-19(25-13)15-7-5-8-16(20)18(15)21/h5,7-8,14H,3-4,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCDFPYAHMUCLQNI-CQSZACIVSA-N
XLogP4.32
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole with MolForge

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Related Compounds

4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 45208474
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
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
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
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 25383210
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 56866509

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 29181380) is 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COCC[C@H]1CCCCN1Cc1nc(-c2cccc(F)c2F)oc1C.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is CDFPYAHMUCLQNI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-13-17(12-23-10-4-3-6-14(23)9-11-24-2)22-19(25-13)15-7-5-8-16(20)18(15)21/h5,7-8,14H,3-4,6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 350.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 29181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).