(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine

C17H17N3O — CID 15695423

IUPAC(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine
SMILESc1ccc([C@H]2NCCC3=NO[C@@H](c4ccccc4)N32)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-12-11-15-19-21-17(20(15)16)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2/t16-,17-/m0/s1
InChIKeyFRHMYJBQSLEZEC-IRXDYDNUSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds2

About (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine

(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine (PubChem CID 15695423) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine
PubChem CID15695423
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine
SMILESc1ccc([C@H]2NCCC3=NO[C@@H](c4ccccc4)N32)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-12-11-15-19-21-17(20(15)16)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2/t16-,17-/m0/s1
InChIKeyFRHMYJBQSLEZEC-IRXDYDNUSA-N
XLogP3.02
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The IUPAC name of (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine (CID 15695423) is (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine.
What is the SMILES notation for (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The canonical SMILES for (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine is c1ccc([C@H]2NCCC3=NO[C@@H](c4ccccc4)N32)cc1.
What is the InChIKey of (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The InChIKey is FRHMYJBQSLEZEC-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-12-11-15-19-21-17(20(15)16)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
(3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine has a molecular weight of 279.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-diphenyl-5,6,7,8-tetrahydro-3H-[1,2,4]oxadiazolo[4,3-c]pyrimidine is sourced from PubChem (CID 15695423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).