3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide

C30H26FN3O2 — CID 88989786

IUPAC3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cc(C3=NOC(c4ccccn4)C3)cc(-c3ccc(C)cc3F)c2)cc1
InChIInChI=1S/C30H26FN3O2/c1-19-6-9-21(10-7-19)18-33-30(35)24-15-22(25-11-8-20(2)13-26(25)31)14-23(16-24)28-17-29(36-34-28)27-5-3-4-12-32-27/h3-16,29H,17-18H2,1-2H3,(H,33,35)
InChIKeyDLIVSRCSSRIIPS-UHFFFAOYSA-N
MW479.56 g/mol
LogP6.30
Rot. Bonds6

About 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide

3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide (PubChem CID 88989786) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
PubChem CID88989786
Molecular FormulaC30H26FN3O2
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cc(C3=NOC(c4ccccn4)C3)cc(-c3ccc(C)cc3F)c2)cc1
InChIInChI=1S/C30H26FN3O2/c1-19-6-9-21(10-7-19)18-33-30(35)24-15-22(25-11-8-20(2)13-26(25)31)14-23(16-24)28-17-29(36-34-28)27-5-3-4-12-32-27/h3-16,29H,17-18H2,1-2H3,(H,33,35)
InChIKeyDLIVSRCSSRIIPS-UHFFFAOYSA-N
XLogP6.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-methylphenyl)-N-(pyrazin-2-ylmethyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
CID 88989825
3-cyclopropyl-1-[3-(2-fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propan-1-one
CID 58096160
1-[3-(2-fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 58095952
1-[3-(2-fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-pyrimidin-5-ylpropan-1-one
CID 58096162
3-(6-chloro-3-pyridinyl)-1-[3-(2-fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propan-1-one
CID 58095960
(3S)-3-cyclohexyl-1-[3-(2-fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]butan-1-one
CID 58096076
3-(2-fluoro-4-methylphenyl)-N-[[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide
CID 88989746
3-(2-fluoro-4-methylphenyl)-5-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 42632764
1-[3-[5-(3-chloro-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-(2-fluoro-4-methylphenyl)phenyl]-3-methylbutan-1-one
CID 58096189
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 66895517
N-[(6-chloro-3-pyridinyl)methyl]-3-(5-cyclopropyl-1,3-oxazol-2-yl)-5-(2-fluoro-4-methylphenyl)benzamide
CID 88989946
3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 88989778

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide (CID 88989786) is 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide is Cc1ccc(CNC(=O)c2cc(C3=NOC(c4ccccn4)C3)cc(-c3ccc(C)cc3F)c2)cc1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
The InChIKey is DLIVSRCSSRIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O2/c1-19-6-9-21(10-7-19)18-33-30(35)24-15-22(25-11-8-20(2)13-26(25)31)14-23(16-24)28-17-29(36-34-28)27-5-3-4-12-32-27/h3-16,29H,17-18H2,1-2H3,(H,33,35).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide?
3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide has a molecular weight of 479.56 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 88989786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).