5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride

C20H27ClN6O — CID 154917551

IUPAC5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCc1cc(C)n(CC2(CNc3nnc([C@H](N)Cc4ccccc4)o3)CC2)n1.Cl
InChIInChI=1S/C20H26N6O.ClH/c1-14-10-15(2)26(25-14)13-20(8-9-20)12-22-19-24-23-18(27-19)17(21)11-16-6-4-3-5-7-16;/h3-7,10,17H,8-9,11-13,21H2,1-2H3,(H,22,24);1H/t17-;/m1./s1
InChIKeyFGORGAINTFOTDH-UNTBIKODSA-N
MW402.93 g/mol
LogP3.44
Rot. Bonds8

About 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride

5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 154917551) has the molecular formula C20H27ClN6O and a molecular weight of 402.93 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID154917551
Molecular FormulaC20H27ClN6O
Molecular Weight402.93 g/mol
Exact Mass402.19
IUPAC Name5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCc1cc(C)n(CC2(CNc3nnc([C@H](N)Cc4ccccc4)o3)CC2)n1.Cl
InChIInChI=1S/C20H26N6O.ClH/c1-14-10-15(2)26(25-14)13-20(8-9-20)12-22-19-24-23-18(27-19)17(21)11-16-6-4-3-5-7-16;/h3-7,10,17H,8-9,11-13,21H2,1-2H3,(H,22,24);1H/t17-;/m1./s1
InChIKeyFGORGAINTFOTDH-UNTBIKODSA-N
XLogP3.44
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride (CID 154917551) is 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride is Cc1cc(C)n(CC2(CNc3nnc([C@H](N)Cc4ccccc4)o3)CC2)n1.Cl.
What is the InChIKey of 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is FGORGAINTFOTDH-UNTBIKODSA-N. The full InChI is InChI=1S/C20H26N6O.ClH/c1-14-10-15(2)26(25-14)13-20(8-9-20)12-22-19-24-23-18(27-19)17(21)11-16-6-4-3-5-7-16;/h3-7,10,17H,8-9,11-13,21H2,1-2H3,(H,22,24);1H/t17-;/m1./s1.
What are the key properties of 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 154917551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).