(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole

C20H16F3N3O2 — CID 155344404

IUPAC(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc([C@@H]2CC(n3ccnc3)=NO2)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c1-13-5-6-14(18-11-19(25-28-18)26-8-7-24-12-26)9-17(13)27-16-4-2-3-15(10-16)20(21,22)23/h2-10,12,18H,11H2,1H3/t18-/m0/s1
InChIKeyGLXVJLVAHMKCTF-SFHVURJKSA-N
MW387.36 g/mol
LogP5.33
Rot. Bonds3

About (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole

(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 155344404) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID155344404
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc([C@@H]2CC(n3ccnc3)=NO2)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c1-13-5-6-14(18-11-19(25-28-18)26-8-7-24-12-26)9-17(13)27-16-4-2-3-15(10-16)20(21,22)23/h2-10,12,18H,11H2,1H3/t18-/m0/s1
InChIKeyGLXVJLVAHMKCTF-SFHVURJKSA-N
XLogP5.33
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole (CID 155344404) is (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole is Cc1ccc([C@@H]2CC(n3ccnc3)=NO2)cc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GLXVJLVAHMKCTF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13-5-6-14(18-11-19(25-28-18)26-8-7-24-12-26)9-17(13)27-16-4-2-3-15(10-16)20(21,22)23/h2-10,12,18H,11H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 387.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155344404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).