1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine

C17H17N5O — CID 56769882

IUPAC1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)C1
InChIInChI=1S/C17H17N5O/c18-14-8-9-22(11-14)15-7-6-13(10-19-15)17-20-16(21-23-17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11,18H2
InChIKeyDCLFHUBLTHVYSS-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.34
Rot. Bonds3

About 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine

1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 56769882) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID56769882
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)C1
InChIInChI=1S/C17H17N5O/c18-14-8-9-22(11-14)15-7-6-13(10-19-15)17-20-16(21-23-17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11,18H2
InChIKeyDCLFHUBLTHVYSS-UHFFFAOYSA-N
XLogP2.34
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine (CID 56769882) is 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine is NC1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)C1.
What is the InChIKey of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is DCLFHUBLTHVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-14-8-9-22(11-14)15-7-6-13(10-19-15)17-20-16(21-23-17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11,18H2.
What are the key properties of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 307.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 56769882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).