N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

C20H25F2N3O2 — CID 25383210

IUPACN-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C
InChIInChI=1S/C20H25F2N3O2/c1-13-19(24-20(27-13)17-7-6-15(21)11-18(17)22)12-25-10-4-3-5-16(25)8-9-23-14(2)26/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyCAKGTFPEYLJDEW-INIZCTEOSA-N
MW377.44 g/mol
LogP3.81
Rot. Bonds6

About N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 25383210) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID25383210
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC NameN-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C
InChIInChI=1S/C20H25F2N3O2/c1-13-19(24-20(27-13)17-7-6-15(21)11-18(17)22)12-25-10-4-3-5-16(25)8-9-23-14(2)26/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyCAKGTFPEYLJDEW-INIZCTEOSA-N
XLogP3.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45212270
[1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42305853
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
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176
2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 29181380
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 45208474
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70744666

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (CID 25383210) is N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C.
What is the InChIKey of N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is CAKGTFPEYLJDEW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-13-19(24-20(27-13)17-7-6-15(21)11-18(17)22)12-25-10-4-3-5-16(25)8-9-23-14(2)26/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 25383210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).