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

C30H22F7N3O5S — CID 90447035

IUPAC[2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)o1
InChIInChI=1S/C30H22F7N3O5S/c1-15-38-26(29(32,33)34)13-40(15)24-9-6-18(19-11-23(31)22(14-41)25(12-19)46(3,42)43)10-21(24)28-27(39-16(2)44-28)17-4-7-20(8-5-17)45-30(35,36)37/h4-13,41H,14H2,1-3H3
InChIKeyCXQNAGPFEAHOIH-UHFFFAOYSA-N
MW669.58 g/mol
LogP7.43
Rot. Bonds7

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

[2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol (PubChem CID 90447035) has the molecular formula C30H22F7N3O5S and a molecular weight of 669.58 g/mol. Its IUPAC name is [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol
PubChem CID90447035
Molecular FormulaC30H22F7N3O5S
Molecular Weight669.58 g/mol
Exact Mass669.12
IUPAC Name[2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)o1
InChIInChI=1S/C30H22F7N3O5S/c1-15-38-26(29(32,33)34)13-40(15)24-9-6-18(19-11-23(31)22(14-41)25(12-19)46(3,42)43)10-21(24)28-27(39-16(2)44-28)17-4-7-20(8-5-17)45-30(35,36)37/h4-13,41H,14H2,1-3H3
InChIKeyCXQNAGPFEAHOIH-UHFFFAOYSA-N
XLogP7.43
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.58
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol?
The IUPAC name of [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol (CID 90447035) is [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol is Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)o1.
What is the InChIKey of [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol?
The InChIKey is CXQNAGPFEAHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F7N3O5S/c1-15-38-26(29(32,33)34)13-40(15)24-9-6-18(19-11-23(31)22(14-41)25(12-19)46(3,42)43)10-21(24)28-27(39-16(2)44-28)17-4-7-20(8-5-17)45-30(35,36)37/h4-13,41H,14H2,1-3H3.
What are the key properties of [2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol?
[2-fluoro-6-methylsulfonyl-4-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol has a molecular weight of 669.58 g/mol, XLogP of 7.43, 7 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-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 90447035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).