2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C15H17N5O — CID 62770976

IUPAC2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H17N5O/c1-15(2,16)14-18-13(21-19-14)10-20-9-12(8-17-20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3
InChIKeyZQQWMLRTRGCUTE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds4

About 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62770976) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62770976
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H17N5O/c1-15(2,16)14-18-13(21-19-14)10-20-9-12(8-17-20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3
InChIKeyZQQWMLRTRGCUTE-UHFFFAOYSA-N
XLogP2.18
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
CID 107557829
[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62769754
5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62885446
2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167894290
2-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridine
CID 79040111
N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907449
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 58523710
2-[5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932595
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62770976) is 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(Cn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZQQWMLRTRGCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(2,16)14-18-13(21-19-14)10-20-9-12(8-17-20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3.
What are the key properties of 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62770976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).