(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one

C18H13F3N4O3 — CID 155211851

IUPAC(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14/h1-8,14,22H,9H2,(H,23,26)/t14-/m0/s1
InChIKeyHJXFHCZJHCBFSZ-AWEZNQCLSA-N
MW390.32 g/mol
LogP4.28
Rot. Bonds4

About (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one

(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 155211851) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID155211851
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14/h1-8,14,22H,9H2,(H,23,26)/t14-/m0/s1
InChIKeyHJXFHCZJHCBFSZ-AWEZNQCLSA-N
XLogP4.28
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one (CID 155211851) is (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1.
What is the InChIKey of (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is HJXFHCZJHCBFSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14/h1-8,14,22H,9H2,(H,23,26)/t14-/m0/s1.
What are the key properties of (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 390.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155211851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).