2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide

C26H24F2N2O4 — CID 57330954

IUPAC2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide
SMILESCc1ccc(C2=NOC(CO)(CCO)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H24F2N2O4/c1-16-5-6-18(23-14-26(15-32,11-12-31)34-30-23)13-20(16)17-7-9-19(10-8-17)29-25(33)24-21(27)3-2-4-22(24)28/h2-10,13,31-32H,11-12,14-15H2,1H3,(H,29,33)
InChIKeyLXKNMMAJVDVTNY-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.43
Rot. Bonds7

About 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide

2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide (PubChem CID 57330954) has the molecular formula C26H24F2N2O4 and a molecular weight of 466.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide
PubChem CID57330954
Molecular FormulaC26H24F2N2O4
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide
SMILESCc1ccc(C2=NOC(CO)(CCO)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H24F2N2O4/c1-16-5-6-18(23-14-26(15-32,11-12-31)34-30-23)13-20(16)17-7-9-19(10-8-17)29-25(33)24-21(27)3-2-4-22(24)28/h2-10,13,31-32H,11-12,14-15H2,1H3,(H,29,33)
InChIKeyLXKNMMAJVDVTNY-UHFFFAOYSA-N
XLogP4.43
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide (CID 57330954) is 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide is Cc1ccc(C2=NOC(CO)(CCO)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide?
The InChIKey is LXKNMMAJVDVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4/c1-16-5-6-18(23-14-26(15-32,11-12-31)34-30-23)13-20(16)17-7-9-19(10-8-17)29-25(33)24-21(27)3-2-4-22(24)28/h2-10,13,31-32H,11-12,14-15H2,1H3,(H,29,33).
What are the key properties of 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide has a molecular weight of 466.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[5-[5-(2-hydroxyethyl)-5-(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]phenyl]benzamide is sourced from PubChem (CID 57330954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).