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

C29H24F4N4O4S — CID 90447015

IUPAC[2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1
InChIInChI=1S/C29H24F4N4O4S/c1-15-20(6-5-9-34-15)28-27(36-17(3)41-28)21-10-18(19-11-23(30)22(14-38)25(12-19)42(4,39)40)7-8-24(21)37-13-26(29(31,32)33)35-16(37)2/h5-13,38H,14H2,1-4H3
InChIKeyXAYUHOOOHQOKFV-UHFFFAOYSA-N
MW600.59 g/mol
LogP6.24
Rot. Bonds6

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

[2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol (PubChem CID 90447015) has the molecular formula C29H24F4N4O4S and a molecular weight of 600.59 g/mol. Its IUPAC name is [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol
PubChem CID90447015
Molecular FormulaC29H24F4N4O4S
Molecular Weight600.59 g/mol
Exact Mass600.15
IUPAC Name[2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1
InChIInChI=1S/C29H24F4N4O4S/c1-15-20(6-5-9-34-15)28-27(36-17(3)41-28)21-10-18(19-11-23(30)22(14-38)25(12-19)42(4,39)40)7-8-24(21)37-13-26(29(31,32)33)35-16(37)2/h5-13,38H,14H2,1-4H3
InChIKeyXAYUHOOOHQOKFV-UHFFFAOYSA-N
XLogP6.24
TPSA111.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.59
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol?
The IUPAC name of [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol (CID 90447015) is [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol?
The canonical SMILES for [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol is Cc1nc(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1.
What is the InChIKey of [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol?
The InChIKey is XAYUHOOOHQOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4N4O4S/c1-15-20(6-5-9-34-15)28-27(36-17(3)41-28)21-10-18(19-11-23(30)22(14-38)25(12-19)42(4,39)40)7-8-24(21)37-13-26(29(31,32)33)35-16(37)2/h5-13,38H,14H2,1-4H3.
What are the key properties of [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol?
[2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol has a molecular weight of 600.59 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[3-[2-methyl-5-(2-methyl-3-pyridinyl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol is sourced from PubChem (CID 90447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).