1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine

C23H25N5O — CID 119139022

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C23H25N5O/c1-16-21(18(3)28(26-16)20-12-8-5-9-13-20)15-24-17(2)23-25-22(27-29-23)14-19-10-6-4-7-11-19/h4-13,17,24H,14-15H2,1-3H3
InChIKeyZPWRLDYARNVWMW-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.31
Rot. Bonds7

About 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine

1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 119139022) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID119139022
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C23H25N5O/c1-16-21(18(3)28(26-16)20-12-8-5-9-13-20)15-24-17(2)23-25-22(27-29-23)14-19-10-6-4-7-11-19/h4-13,17,24H,14-15H2,1-3H3
InChIKeyZPWRLDYARNVWMW-UHFFFAOYSA-N
XLogP4.31
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine (CID 119139022) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine is Cc1nn(-c2ccccc2)c(C)c1CNC(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZPWRLDYARNVWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-21(18(3)28(26-16)20-12-8-5-9-13-20)15-24-17(2)23-25-22(27-29-23)14-19-10-6-4-7-11-19/h4-13,17,24H,14-15H2,1-3H3.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 387.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119139022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).