4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide

C18H16F2N2O3 — CID 135966063

IUPAC4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide
SMILESO=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)
InChIKeyUAPQSURMMCXUFR-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.98
Rot. Bonds5

About 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide

4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide (PubChem CID 135966063) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide
PubChem CID135966063
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide
SMILESO=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)
InChIKeyUAPQSURMMCXUFR-UHFFFAOYSA-N
XLogP2.98
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide with MolForge

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Related Compounds

2-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)isoindoline-1,3-dione
CID 135857233
N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 14412124
2-(3-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)propyl)isoindoline-1,3-dione
CID 135966064
N-cyclohexyl-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 135973104
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 2803937
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pivalamide
CID 135966062
N-[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butyl]-2-hydroxybenzamide
CID 136065971
N-[6-[(5-fluoro-2-hydroxyphenyl)methylideneamino]hexyl]-2-hydroxybenzamide
CID 136065986
N-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
CID 136065989
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)-3-methylbutanamide
CID 136123461
4-Fluoro-N-[2-(4-hydroxyphenyl)ethyl]-Benzamide
CID 24285417

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide (CID 135966063) is 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide is O=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide?
The InChIKey is UAPQSURMMCXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24).
What are the key properties of 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide?
4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide has a molecular weight of 346.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 135966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).