(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one

C23H17N3O3 — CID 70958299

IUPAC(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccccc3)no2)O1
InChIInChI=1S/C23H17N3O3/c27-23-24-19(18-13-7-12-17(14-18)15-8-3-1-4-9-15)20(28-23)22-25-21(26-29-22)16-10-5-2-6-11-16/h1-14,19-20H,(H,24,27)/t19-,20+/m0/s1
InChIKeyIIHUBVNNPUULPR-VQTJNVASSA-N
MW383.41 g/mol
LogP4.93
Rot. Bonds4

About (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one

(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one (PubChem CID 70958299) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one
PubChem CID70958299
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccccc3)no2)O1
InChIInChI=1S/C23H17N3O3/c27-23-24-19(18-13-7-12-17(14-18)15-8-3-1-4-9-15)20(28-23)22-25-21(26-29-22)16-10-5-2-6-11-16/h1-14,19-20H,(H,24,27)/t19-,20+/m0/s1
InChIKeyIIHUBVNNPUULPR-VQTJNVASSA-N
XLogP4.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one (CID 70958299) is (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccccc3)no2)O1.
What is the InChIKey of (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IIHUBVNNPUULPR-VQTJNVASSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23-24-19(18-13-7-12-17(14-18)15-8-3-1-4-9-15)20(28-23)22-25-21(26-29-22)16-10-5-2-6-11-16/h1-14,19-20H,(H,24,27)/t19-,20+/m0/s1.
What are the key properties of (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 383.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).