2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol

C21H25N3O2 — CID 23723831

IUPAC2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H25N3O2/c1-16(2)24(13-14-25)15-19-22-21(23-26-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20,25H,13-15H2,1-2H3
InChIKeyRGRHZKWJBVUMPF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.45
Rot. Bonds8

About 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol

2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 23723831) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol
PubChem CID23723831
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H25N3O2/c1-16(2)24(13-14-25)15-19-22-21(23-26-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20,25H,13-15H2,1-2H3
InChIKeyRGRHZKWJBVUMPF-UHFFFAOYSA-N
XLogP3.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol (CID 23723831) is 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is RGRHZKWJBVUMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)24(13-14-25)15-19-22-21(23-26-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20,25H,13-15H2,1-2H3.
What are the key properties of 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol?
2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 351.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 23723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).