5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

C32H26F5N3O5S — CID 90446976

IUPAC5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(OC3CC3)c2)o1
InChIInChI=1S/C32H26F5N3O5S/c1-17-38-28(32(35,36)37)16-40(17)25-11-7-20(19-5-4-6-23(13-19)46(3,41)42)14-24(25)29-30(43-18(2)39-29)21-8-12-26(45-31(33)34)27(15-21)44-22-9-10-22/h4-8,11-16,22,31H,9-10H2,1-3H3
InChIKeyWDIMPAHSPXADHY-UHFFFAOYSA-N
MW659.63 g/mol
LogP8.04
Rot. Bonds9

About 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (PubChem CID 90446976) has the molecular formula C32H26F5N3O5S and a molecular weight of 659.63 g/mol. Its IUPAC name is 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
PubChem CID90446976
Molecular FormulaC32H26F5N3O5S
Molecular Weight659.63 g/mol
Exact Mass659.15
IUPAC Name5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(OC3CC3)c2)o1
InChIInChI=1S/C32H26F5N3O5S/c1-17-38-28(32(35,36)37)16-40(17)25-11-7-20(19-5-4-6-23(13-19)46(3,41)42)14-24(25)29-30(43-18(2)39-29)21-8-12-26(45-31(33)34)27(15-21)44-22-9-10-22/h4-8,11-16,22,31H,9-10H2,1-3H3
InChIKeyWDIMPAHSPXADHY-UHFFFAOYSA-N
XLogP8.04
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.63
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (CID 90446976) is 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(OC3CC3)c2)o1.
What is the InChIKey of 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The InChIKey is WDIMPAHSPXADHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F5N3O5S/c1-17-38-28(32(35,36)37)16-40(17)25-11-7-20(19-5-4-6-23(13-19)46(3,41)42)14-24(25)29-30(43-18(2)39-29)21-8-12-26(45-31(33)34)27(15-21)44-22-9-10-22/h4-8,11-16,22,31H,9-10H2,1-3H3.
What are the key properties of 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole has a molecular weight of 659.63 g/mol, XLogP of 8.04, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 90446976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).