3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole

C15H17N3O3 — CID 95972496

IUPAC3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(C2=NO[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C15H17N3O3/c1-15(2,19-3)14-16-13(21-18-14)11-9-12(20-17-11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/t12-/m1/s1
InChIKeySTMOJGFWVQBTPI-GFCCVEGCSA-N
MW287.32 g/mol
LogP2.82
Rot. Bonds4

About 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole

3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole (PubChem CID 95972496) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole
PubChem CID95972496
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(C2=NO[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C15H17N3O3/c1-15(2,19-3)14-16-13(21-18-14)11-9-12(20-17-11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/t12-/m1/s1
InChIKeySTMOJGFWVQBTPI-GFCCVEGCSA-N
XLogP2.82
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole (CID 95972496) is 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole is COC(C)(C)c1noc(C2=NO[C@@H](c3ccccc3)C2)n1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is STMOJGFWVQBTPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,19-3)14-16-13(21-18-14)11-9-12(20-17-11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95972496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).