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

C24H23N3O — CID 10451746

IUPAC(3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine
SMILESc1ccc(CN2CCC3=NO[C@@H](c4ccccc4)N3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-4-10-19(11-5-1)18-26-17-16-22-25-28-24(21-14-8-3-9-15-21)27(22)23(26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-,24+/m1/s1
InChIKeyAHQUHPPGDRFNFH-RPWUZVMVSA-N
MW369.47 g/mol
LogP4.94
Rot. Bonds4

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

(3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine (PubChem CID 10451746) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name(3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine
PubChem CID10451746
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine
SMILESc1ccc(CN2CCC3=NO[C@@H](c4ccccc4)N3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-4-10-19(11-5-1)18-26-17-16-22-25-28-24(21-14-8-3-9-15-21)27(22)23(26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-,24+/m1/s1
InChIKeyAHQUHPPGDRFNFH-RPWUZVMVSA-N
XLogP4.94
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The IUPAC name of (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine (CID 10451746) is (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine.
What is the SMILES notation for (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The canonical SMILES for (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine is c1ccc(CN2CCC3=NO[C@@H](c4ccccc4)N3[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
The InChIKey is AHQUHPPGDRFNFH-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H23N3O/c1-4-10-19(11-5-1)18-26-17-16-22-25-28-24(21-14-8-3-9-15-21)27(22)23(26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-,24+/m1/s1.
What are the key properties of (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine?
(3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine has a molecular weight of 369.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-6-benzyl-3,5-diphenyl-3,5,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-c]pyrimidine is sourced from PubChem (CID 10451746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).