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

C20H23N3O2 — CID 111111050

IUPAC3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1nnc(CN(CCCO)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C20H23N3O2/c1-16-21-22-19(25-16)15-23(13-8-14-24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,20,24H,8,13-15H2,1H3
InChIKeyMBTFTXVGXKIWSH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.35
Rot. Bonds8

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

3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 111111050) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
PubChem CID111111050
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
SMILESCc1nnc(CN(CCCO)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C20H23N3O2/c1-16-21-22-19(25-16)15-23(13-8-14-24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,20,24H,8,13-15H2,1H3
InChIKeyMBTFTXVGXKIWSH-UHFFFAOYSA-N
XLogP3.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol (CID 111111050) is 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol is Cc1nnc(CN(CCCO)C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is MBTFTXVGXKIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16-21-22-19(25-16)15-23(13-8-14-24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,20,24H,8,13-15H2,1H3.
What are the key properties of 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol?
3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111111050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).