2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide

C32H27F5N4O3 — CID 90447048

IUPAC2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide
SMILESCc1nc(-c2cc(-c3cccc(C(C)(C)C(N)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C32H27F5N4O3/c1-17-39-26(32(35,36)37)16-41(17)25-13-10-21(20-6-5-7-22(14-20)31(3,4)29(38)42)15-24(25)27-28(43-18(2)40-27)19-8-11-23(12-9-19)44-30(33)34/h5-16,30H,1-4H3,(H2,38,42)
InChIKeyWXAMQUNJAQXMNR-UHFFFAOYSA-N
MW610.58 g/mol
LogP7.86
Rot. Bonds8

About 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide

2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide (PubChem CID 90447048) has the molecular formula C32H27F5N4O3 and a molecular weight of 610.58 g/mol. Its IUPAC name is 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide
PubChem CID90447048
Molecular FormulaC32H27F5N4O3
Molecular Weight610.58 g/mol
Exact Mass610.20
IUPAC Name2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide
SMILESCc1nc(-c2cc(-c3cccc(C(C)(C)C(N)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C32H27F5N4O3/c1-17-39-26(32(35,36)37)16-41(17)25-13-10-21(20-6-5-7-22(14-20)31(3,4)29(38)42)15-24(25)27-28(43-18(2)40-27)19-8-11-23(12-9-19)44-30(33)34/h5-16,30H,1-4H3,(H2,38,42)
InChIKeyWXAMQUNJAQXMNR-UHFFFAOYSA-N
XLogP7.86
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.58
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide (CID 90447048) is 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide is Cc1nc(-c2cc(-c3cccc(C(C)(C)C(N)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)cc2)o1.
What is the InChIKey of 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide?
The InChIKey is WXAMQUNJAQXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F5N4O3/c1-17-39-26(32(35,36)37)16-41(17)25-13-10-21(20-6-5-7-22(14-20)31(3,4)29(38)42)15-24(25)27-28(43-18(2)40-27)19-8-11-23(12-9-19)44-30(33)34/h5-16,30H,1-4H3,(H2,38,42).
What are the key properties of 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide?
2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide has a molecular weight of 610.58 g/mol, XLogP of 7.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[5-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 90447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).