2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone

C25H24F2N4O2 — CID 73346314

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC1=NC2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)CC2O1
InChIInChI=1S/C25H24F2N4O2/c1-15-11-18(5-8-20(15)27)22-12-31(25(29-22)17-3-6-19(26)7-4-17)14-24(32)30-10-9-21-23(13-30)33-16(2)28-21/h3-8,11-12,21,23H,9-10,13-14H2,1-2H3
InChIKeyWDPTXUVLMFMBCH-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.22
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone

2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 73346314) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID73346314
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC1=NC2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)CC2O1
InChIInChI=1S/C25H24F2N4O2/c1-15-11-18(5-8-20(15)27)22-12-31(25(29-22)17-3-6-19(26)7-4-17)14-24(32)30-10-9-21-23(13-30)33-16(2)28-21/h3-8,11-12,21,23H,9-10,13-14H2,1-2H3
InChIKeyWDPTXUVLMFMBCH-UHFFFAOYSA-N
XLogP4.22
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone (CID 73346314) is 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone is CC1=NC2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)CC2O1.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is WDPTXUVLMFMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-15-11-18(5-8-20(15)27)22-12-31(25(29-22)17-3-6-19(26)7-4-17)14-24(32)30-10-9-21-23(13-30)33-16(2)28-21/h3-8,11-12,21,23H,9-10,13-14H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone?
2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 450.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 73346314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).