1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C15H17N5O — CID 114918052

IUPAC1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCn1ccc(-c2noc(C(N)CCc3ccccc3)n2)n1
InChIInChI=1S/C15H17N5O/c1-20-10-9-13(18-20)14-17-15(21-19-14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,16H2,1H3
InChIKeyLQDYTZYCONBNJK-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.10
Rot. Bonds5

About 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 114918052) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID114918052
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCn1ccc(-c2noc(C(N)CCc3ccccc3)n2)n1
InChIInChI=1S/C15H17N5O/c1-20-10-9-13(18-20)14-17-15(21-19-14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,16H2,1H3
InChIKeyLQDYTZYCONBNJK-UHFFFAOYSA-N
XLogP2.10
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 114918052) is 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is Cn1ccc(-c2noc(C(N)CCc3ccccc3)n2)n1.
What is the InChIKey of 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is LQDYTZYCONBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-10-9-13(18-20)14-17-15(21-19-14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,16H2,1H3.
What are the key properties of 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 283.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 114918052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).