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

C32H24F6N4O3 — CID 90447513

IUPAC1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1nc(-c2cc(-c3cccc(C4(C(N)=O)CC4)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(F)c2)o1
InChIInChI=1S/C32H24F6N4O3/c1-16-40-26(32(36,37)38)15-42(16)24-8-6-19(18-4-3-5-21(12-18)31(10-11-31)29(39)43)13-22(24)27-28(44-17(2)41-27)20-7-9-25(23(33)14-20)45-30(34)35/h3-9,12-15,30H,10-11H2,1-2H3,(H2,39,43)
InChIKeyIPAHEINBIUWBEH-UHFFFAOYSA-N
MW626.56 g/mol
LogP7.75
Rot. Bonds8

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

1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 90447513) has the molecular formula C32H24F6N4O3 and a molecular weight of 626.56 g/mol. Its IUPAC name is 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID90447513
Molecular FormulaC32H24F6N4O3
Molecular Weight626.56 g/mol
Exact Mass626.18
IUPAC Name1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1nc(-c2cc(-c3cccc(C4(C(N)=O)CC4)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(F)c2)o1
InChIInChI=1S/C32H24F6N4O3/c1-16-40-26(32(36,37)38)15-42(16)24-8-6-19(18-4-3-5-21(12-18)31(10-11-31)29(39)43)13-22(24)27-28(44-17(2)41-27)20-7-9-25(23(33)14-20)45-30(34)35/h3-9,12-15,30H,10-11H2,1-2H3,(H2,39,43)
InChIKeyIPAHEINBIUWBEH-UHFFFAOYSA-N
XLogP7.75
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.56
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide (CID 90447513) is 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide is Cc1nc(-c2cc(-c3cccc(C4(C(N)=O)CC4)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2ccc(OC(F)F)c(F)c2)o1.
What is the InChIKey of 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is IPAHEINBIUWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F6N4O3/c1-16-40-26(32(36,37)38)15-42(16)24-8-6-19(18-4-3-5-21(12-18)31(10-11-31)29(39)43)13-22(24)27-28(44-17(2)41-27)20-7-9-25(23(33)14-20)45-30(34)35/h3-9,12-15,30H,10-11H2,1-2H3,(H2,39,43).
What are the key properties of 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide?
1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 626.56 g/mol, XLogP of 7.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90447513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).