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

C18H21F2N3O2 — CID 166615685

IUPAC2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide
SMILESCC[C@@H]1CN(c2ncco2)CC[C@@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C18H21F2N3O2/c1-2-12-11-23(18-21-6-8-25-18)7-5-16(12)22-17(24)9-13-3-4-14(19)10-15(13)20/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyWWMGALYQJJYZBX-WBMJQRKESA-N
MW349.38 g/mol
LogP2.92
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 166615685) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide
PubChem CID166615685
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide
SMILESCC[C@@H]1CN(c2ncco2)CC[C@@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C18H21F2N3O2/c1-2-12-11-23(18-21-6-8-25-18)7-5-16(12)22-17(24)9-13-3-4-14(19)10-15(13)20/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyWWMGALYQJJYZBX-WBMJQRKESA-N
XLogP2.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140044
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110489
2-[6-(2-Fluoro-6-methylphenyl)-1,4-diazabicyclo[3.2.1]octan-4-yl]-1,3-oxazole
CID 69634016
4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
CID 70489070
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
CID 154023625
4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138649
N-[4,4-difluoro-1-[1,3-oxazole-2-carbonyl(propyl)amino]-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
CID 11213745
N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372340
3-(2-Fluorobenzyl)-1-isobutyl-8-(1,3-oxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619348
N-(trans-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}cyclohexyl)-1,3-oxazol-2-amine
CID 169419220
3-(Methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one
CID 20798969

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide (CID 166615685) is 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide is CC[C@@H]1CN(c2ncco2)CC[C@@H]1NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is WWMGALYQJJYZBX-WBMJQRKESA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-2-12-11-23(18-21-6-8-25-18)7-5-16(12)22-17(24)9-13-3-4-14(19)10-15(13)20/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3,(H,22,24)/t12-,16+/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide?
2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 349.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 166615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).