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

C22H16N4O3 — CID 70958316

IUPAC(4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccncc3)no2)O1
InChIInChI=1S/C22H16N4O3/c27-22-24-18(17-8-4-7-16(13-17)14-5-2-1-3-6-14)19(28-22)21-25-20(26-29-21)15-9-11-23-12-10-15/h1-13,18-19H,(H,24,27)/t18-,19+/m0/s1
InChIKeyURIYIOCAYSKFTL-RBUKOAKNSA-N
MW384.40 g/mol
LogP4.32
Rot. Bonds4

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

(4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 70958316) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID70958316
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name(4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccncc3)no2)O1
InChIInChI=1S/C22H16N4O3/c27-22-24-18(17-8-4-7-16(13-17)14-5-2-1-3-6-14)19(28-22)21-25-20(26-29-21)15-9-11-23-12-10-15/h1-13,18-19H,(H,24,27)/t18-,19+/m0/s1
InChIKeyURIYIOCAYSKFTL-RBUKOAKNSA-N
XLogP4.32
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one (CID 70958316) is (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cccc(-c3ccccc3)c2)[C@H](c2nc(-c3ccncc3)no2)O1.
What is the InChIKey of (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is URIYIOCAYSKFTL-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-22-24-18(17-8-4-7-16(13-17)14-5-2-1-3-6-14)19(28-22)21-25-20(26-29-21)15-9-11-23-12-10-15/h1-13,18-19H,(H,24,27)/t18-,19+/m0/s1.
What are the key properties of (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one?
(4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(3-phenylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).