[4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol

C34H35FN4O5S — CID 122627867

About [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol

[4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol (PubChem CID 122627867) has the molecular formula C34H35FN4O5S and a molecular weight of 630.74 g/mol. Its IUPAC name is [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol.

Molecular Properties

• Compound Name: [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol
• PubChem CID: 122627867
• Molecular Formula: C34H35FN4O5S
• Molecular Weight: 630.74 g/mol
• Exact Mass: 630.23
• IUPAC Name: [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol
• SMILES: Cc1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2-c2nc(C)oc2-c2ccc(OC3CCCCC3)nc2)c(C)n1
• InChI: InChI=1S/C34H35FN4O5S/c1-20-18-39(21(2)37-20)30-12-10-23(25-15-29(35)28(19-40)31(16-25)45(4,41)42)14-27(30)33-34(43-22(3)38-33)24-11-13-32(36-17-24)44-26-8-6-5-7-9-26/h10-18,26,40H,5-9,19H2,1-4H3
• InChIKey: URCHFRZPDNVCCR-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 120.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.74
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol?

The IUPAC name of [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol (CID 122627867) is [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol.

What is the SMILES notation for [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol?

The canonical SMILES for [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol is Cc1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2-c2nc(C)oc2-c2ccc(OC3CCCCC3)nc2)c(C)n1.

What is the InChIKey of [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol?

The InChIKey is URCHFRZPDNVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O5S/c1-20-18-39(21(2)37-20)30-12-10-23(25-15-29(35)28(19-40)31(16-25)45(4,41)42)14-27(30)33-34(43-22(3)38-33)24-11-13-32(36-17-24)44-26-8-6-5-7-9-26/h10-18,26,40H,5-9,19H2,1-4H3.

What are the key properties of [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol?

[4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol has a molecular weight of 630.74 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[5-(6-cyclohexyloxy-3-pyridinyl)-2-methyl-1,3-oxazol-4-yl]-4-(2,4-dimethylimidazol-1-yl)phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol is sourced from PubChem (CID 122627867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).