N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C17H18F2N2O3 — CID 57075555

IUPACN-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2cc(F)c(C3=CCOCC3)c(F)c2)NO1
InChIInChI=1S/C17H18F2N2O3/c1-10(22)20-9-13-8-16(21-24-13)12-6-14(18)17(15(19)7-12)11-2-4-23-5-3-11/h2,6-8,13,21H,3-5,9H2,1H3,(H,20,22)
InChIKeyZOLDYQASGWUMOF-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.15
Rot. Bonds4

About N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 57075555) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID57075555
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2cc(F)c(C3=CCOCC3)c(F)c2)NO1
InChIInChI=1S/C17H18F2N2O3/c1-10(22)20-9-13-8-16(21-24-13)12-6-14(18)17(15(19)7-12)11-2-4-23-5-3-11/h2,6-8,13,21H,3-5,9H2,1H3,(H,20,22)
InChIKeyZOLDYQASGWUMOF-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698735
N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698749
N-[[3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 56987105
N-[[3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-2,3,6,7-tetrahydroazepin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57076181
N-[[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57079825
N-[[3-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57087823
N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57091107
N-[[3-(3,4,5-trifluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57124880
N-[[3-[3-fluoro-4-(1-formylazetidin-3-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57125117
N-[[3-[3,5-difluoro-4-(oxan-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57161639
N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57194177
N-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57233056

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 57075555) is N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1C=C(c2cc(F)c(C3=CCOCC3)c(F)c2)NO1.
What is the InChIKey of N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is ZOLDYQASGWUMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(22)20-9-13-8-16(21-24-13)12-6-14(18)17(15(19)7-12)11-2-4-23-5-3-11/h2,6-8,13,21H,3-5,9H2,1H3,(H,20,22).
What are the key properties of N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 336.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-difluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 57075555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).