2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole

C19H13F4N3O4 — CID 58126386

IUPAC2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(F)cc(OC3=NO[C@@H](c4ccc(OC(F)(F)F)cc4)C3)c2)o1
InChIInChI=1S/C19H13F4N3O4/c1-10-24-25-18(27-10)12-6-13(20)8-15(7-12)28-17-9-16(30-26-17)11-2-4-14(5-3-11)29-19(21,22)23/h2-8,16H,9H2,1H3/t16-/m1/s1
InChIKeyVNVXIAKNEUKWHI-MRXNPFEDSA-N
MW423.32 g/mol
LogP4.94
Rot. Bonds4

About 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 58126386) has the molecular formula C19H13F4N3O4 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID58126386
Molecular FormulaC19H13F4N3O4
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(F)cc(OC3=NO[C@@H](c4ccc(OC(F)(F)F)cc4)C3)c2)o1
InChIInChI=1S/C19H13F4N3O4/c1-10-24-25-18(27-10)12-6-13(20)8-15(7-12)28-17-9-16(30-26-17)11-2-4-14(5-3-11)29-19(21,22)23/h2-8,16H,9H2,1H3/t16-/m1/s1
InChIKeyVNVXIAKNEUKWHI-MRXNPFEDSA-N
XLogP4.94
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 58126386) is 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc(F)cc(OC3=NO[C@@H](c4ccc(OC(F)(F)F)cc4)C3)c2)o1.
What is the InChIKey of 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is VNVXIAKNEUKWHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H13F4N3O4/c1-10-24-25-18(27-10)12-6-13(20)8-15(7-12)28-17-9-16(30-26-17)11-2-4-14(5-3-11)29-19(21,22)23/h2-8,16H,9H2,1H3/t16-/m1/s1.
What are the key properties of 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 423.32 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 58126386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).