2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride

C24H24ClN3O2 — CID 175433825

IUPAC2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride
SMILESCc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CC(N)CO)c2)o1.Cl
InChIInChI=1S/C24H23N3O2.ClH/c1-16-21(18-8-3-2-4-9-18)11-6-12-22(16)24-27-26-23(29-24)19-10-5-7-17(13-19)14-20(25)15-28;/h2-13,20,28H,14-15,25H2,1H3;1H
InChIKeyYPSFJEQQBQXYET-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.66
Rot. Bonds6

About 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride

2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride (PubChem CID 175433825) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride
PubChem CID175433825
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride
SMILESCc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CC(N)CO)c2)o1.Cl
InChIInChI=1S/C24H23N3O2.ClH/c1-16-21(18-8-3-2-4-9-18)11-6-12-22(16)24-27-26-23(29-24)19-10-5-7-17(13-19)14-20(25)15-28;/h2-13,20,28H,14-15,25H2,1H3;1H
InChIKeyYPSFJEQQBQXYET-UHFFFAOYSA-N
XLogP4.66
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride (CID 175433825) is 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride is Cc1c(-c2ccccc2)cccc1-c1nnc(-c2cccc(CC(N)CO)c2)o1.Cl.
What is the InChIKey of 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride?
The InChIKey is YPSFJEQQBQXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.ClH/c1-16-21(18-8-3-2-4-9-18)11-6-12-22(16)24-27-26-23(29-24)19-10-5-7-17(13-19)14-20(25)15-28;/h2-13,20,28H,14-15,25H2,1H3;1H.
What are the key properties of 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 175433825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).