(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C15H10F2N4O3S — CID 156507287

IUPAC(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1c1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C15H10F2N4O3S/c16-11(17)13-20-19-12(24-13)10-6-18-14(25-10)21-9(7-23-15(21)22)8-4-2-1-3-5-8/h1-6,9,11H,7H2/t9-/m0/s1
InChIKeyCNTOIIAZFCSDMT-VIFPVBQESA-N
MW364.33 g/mol
LogP3.83
Rot. Bonds4

About (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 156507287) has the molecular formula C15H10F2N4O3S and a molecular weight of 364.33 g/mol. Its IUPAC name is (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID156507287
Molecular FormulaC15H10F2N4O3S
Molecular Weight364.33 g/mol
Exact Mass364.04
IUPAC Name(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1c1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C15H10F2N4O3S/c16-11(17)13-20-19-12(24-13)10-6-18-14(25-10)21-9(7-23-15(21)22)8-4-2-1-3-5-8/h1-6,9,11H,7H2/t9-/m0/s1
InChIKeyCNTOIIAZFCSDMT-VIFPVBQESA-N
XLogP3.83
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 156507287) is (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1c1ncc(-c2nnc(C(F)F)o2)s1.
What is the InChIKey of (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CNTOIIAZFCSDMT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H10F2N4O3S/c16-11(17)13-20-19-12(24-13)10-6-18-14(25-10)21-9(7-23-15(21)22)8-4-2-1-3-5-8/h1-6,9,11H,7H2/t9-/m0/s1.
What are the key properties of (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 364.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 156507287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).