(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol

C25H25N3O2 — CID 175433758

IUPAC(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol
SMILESCc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CNC[C@@H](C)O)c2)o1
InChIInChI=1S/C25H25N3O2/c1-17(29)15-26-16-19-8-6-11-21(14-19)24-27-28-25(30-24)23-13-7-12-22(18(23)2)20-9-4-3-5-10-20/h3-14,17,26,29H,15-16H2,1-2H3/t17-/m1/s1
InChIKeyYCZQBBFUDMQTKS-QGZVFWFLSA-N
MW399.49 g/mol
LogP4.85
Rot. Bonds7

About (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol

(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol (PubChem CID 175433758) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol
PubChem CID175433758
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol
SMILESCc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CNC[C@@H](C)O)c2)o1
InChIInChI=1S/C25H25N3O2/c1-17(29)15-26-16-19-8-6-11-21(14-19)24-27-28-25(30-24)23-13-7-12-22(18(23)2)20-9-4-3-5-10-20/h3-14,17,26,29H,15-16H2,1-2H3/t17-/m1/s1
InChIKeyYCZQBBFUDMQTKS-QGZVFWFLSA-N
XLogP4.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol (CID 175433758) is (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol is Cc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CNC[C@@H](C)O)c2)o1.
What is the InChIKey of (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol?
The InChIKey is YCZQBBFUDMQTKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(29)15-26-16-19-8-6-11-21(14-19)24-27-28-25(30-24)23-13-7-12-22(18(23)2)20-9-4-3-5-10-20/h3-14,17,26,29H,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol?
(2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol has a molecular weight of 399.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 175433758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).