2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone

C24H21FN4O2 — CID 71657126

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
SMILESCc1nc2c(o1)CN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)C2
InChIInChI=1S/C24H21FN4O2/c1-15-10-18(8-9-19(15)25)20-11-29(24(27-20)17-6-4-3-5-7-17)14-23(30)28-12-21-22(13-28)31-16(2)26-21/h3-11H,12-14H2,1-2H3
InChIKeyLYVXHPOPWBRWRP-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone

2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone (PubChem CID 71657126) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
PubChem CID71657126
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
SMILESCc1nc2c(o1)CN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)C2
InChIInChI=1S/C24H21FN4O2/c1-15-10-18(8-9-19(15)25)20-11-29(24(27-20)17-6-4-3-5-7-17)14-23(30)28-12-21-22(13-28)31-16(2)26-21/h3-11H,12-14H2,1-2H3
InChIKeyLYVXHPOPWBRWRP-UHFFFAOYSA-N
XLogP4.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.50
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-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone (CID 71657126) is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone is Cc1nc2c(o1)CN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)C2.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The InChIKey is LYVXHPOPWBRWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15-10-18(8-9-19(15)25)20-11-29(24(27-20)17-6-4-3-5-7-17)14-23(30)28-12-21-22(13-28)31-16(2)26-21/h3-11H,12-14H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone has a molecular weight of 416.46 g/mol, XLogP of 4.50, 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-phenylimidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone is sourced from PubChem (CID 71657126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).