[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol

C32H26F7N3O5S — CID 90447547

IUPAC[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-c1nc(C(C)C)oc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C32H26F7N3O5S/c1-16(2)30-41-28(29(46-30)18-5-8-21(9-6-18)47-32(37,38)39)22-11-19(20-12-24(33)23(15-43)26(13-20)48(4,44)45)7-10-25(22)42-14-27(31(34,35)36)40-17(42)3/h5-14,16,43H,15H2,1-4H3
InChIKeyNRSDWNVESRFSKT-UHFFFAOYSA-N
MW697.63 g/mol
LogP8.25
Rot. Bonds8

About [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol

[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol (PubChem CID 90447547) has the molecular formula C32H26F7N3O5S and a molecular weight of 697.63 g/mol. Its IUPAC name is [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol
PubChem CID90447547
Molecular FormulaC32H26F7N3O5S
Molecular Weight697.63 g/mol
Exact Mass697.15
IUPAC Name[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-c1nc(C(C)C)oc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C32H26F7N3O5S/c1-16(2)30-41-28(29(46-30)18-5-8-21(9-6-18)47-32(37,38)39)22-11-19(20-12-24(33)23(15-43)26(13-20)48(4,44)45)7-10-25(22)42-14-27(31(34,35)36)40-17(42)3/h5-14,16,43H,15H2,1-4H3
InChIKeyNRSDWNVESRFSKT-UHFFFAOYSA-N
XLogP8.25
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.63
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol?
The IUPAC name of [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol (CID 90447547) is [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol is Cc1nc(C(F)(F)F)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-c1nc(C(C)C)oc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol?
The InChIKey is NRSDWNVESRFSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F7N3O5S/c1-16(2)30-41-28(29(46-30)18-5-8-21(9-6-18)47-32(37,38)39)22-11-19(20-12-24(33)23(15-43)26(13-20)48(4,44)45)7-10-25(22)42-14-27(31(34,35)36)40-17(42)3/h5-14,16,43H,15H2,1-4H3.
What are the key properties of [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol?
[2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol has a molecular weight of 697.63 g/mol, XLogP of 8.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 90447547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).