N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

C14H15F3N2O3 — CID 163696191

IUPACN-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(C2CC=NO2)cc1)C(F)F
InChIInChI=1S/C14H15F3N2O3/c15-7-10(19-14(21)13(16)17)12(20)9-3-1-8(2-4-9)11-5-6-18-22-11/h1-4,6,10-13,20H,5,7H2,(H,19,21)/t10-,11?,12-/m1/s1
InChIKeyJXDZZMCRNAVANE-IGBJHFKCSA-N
MW316.28 g/mol
LogP1.89
Rot. Bonds6

About N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (PubChem CID 163696191) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
PubChem CID163696191
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(C2CC=NO2)cc1)C(F)F
InChIInChI=1S/C14H15F3N2O3/c15-7-10(19-14(21)13(16)17)12(20)9-3-1-8(2-4-9)11-5-6-18-22-11/h1-4,6,10-13,20H,5,7H2,(H,19,21)/t10-,11?,12-/m1/s1
InChIKeyJXDZZMCRNAVANE-IGBJHFKCSA-N
XLogP1.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide
CID 10215239
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide
CID 23570510
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074490
N-[1-[4-[6-(3-aminooxetan-3-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 78164063
N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 142806634
N-[(1S,2S)-1-[4-[6-(azetidin-3-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 90074791
N-[(1R,2S)-1-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 86695448
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123542134
N-[(1R,2S)-1-(4-acetylphenyl)-3-fluoro-1-hydroxypropan-2-yl]-2-chloro-2-fluoroacetamide
CID 58631161
2,2-difluoro-N-[3-fluoro-1-[4-[2-[(3-fluoroazetidin-1-yl)methyl]-1,3-thiazol-5-yl]phenyl]-1-hydroxypropan-2-yl]acetamide
CID 123617755
2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide
CID 123441816
N-[(1R,2S)-1-[4-[6-(2-amino-1-nitrosoethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123409203

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (CID 163696191) is N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(C2CC=NO2)cc1)C(F)F.
What is the InChIKey of N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The InChIKey is JXDZZMCRNAVANE-IGBJHFKCSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-7-10(19-14(21)13(16)17)12(20)9-3-1-8(2-4-9)11-5-6-18-22-11/h1-4,6,10-13,20H,5,7H2,(H,19,21)/t10-,11?,12-/m1/s1.
What are the key properties of N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide has a molecular weight of 316.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 163696191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).