2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline

C15H14N4O — CID 78960809

IUPAC2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccccc1-c1noc(CCc2ccncc2)n1
InChIInChI=1S/C15H14N4O/c16-13-4-2-1-3-12(13)15-18-14(20-19-15)6-5-11-7-9-17-10-8-11/h1-4,7-10H,5-6,16H2
InChIKeyUUKKQRFXGNKBPN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.50
Rot. Bonds4

About 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline

2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 78960809) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID78960809
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccccc1-c1noc(CCc2ccncc2)n1
InChIInChI=1S/C15H14N4O/c16-13-4-2-1-3-12(13)15-18-14(20-19-15)6-5-11-7-9-17-10-8-11/h1-4,7-10H,5-6,16H2
InChIKeyUUKKQRFXGNKBPN-UHFFFAOYSA-N
XLogP2.50
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline (CID 78960809) is 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline is Nc1ccccc1-c1noc(CCc2ccncc2)n1.
What is the InChIKey of 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is UUKKQRFXGNKBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-13-4-2-1-3-12(13)15-18-14(20-19-15)6-5-11-7-9-17-10-8-11/h1-4,7-10H,5-6,16H2.
What are the key properties of 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline?
2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 266.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 78960809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).