N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C17H24N4O2 — CID 70740611

IUPACN-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCCCC3CCOC3)nc2)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)16-20-17(23-21-16)14-5-6-15(19-10-14)18-8-3-4-13-7-9-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyNNXTZWXVWYEONN-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.48
Rot. Bonds7

About N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 70740611) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID70740611
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCCCC3CCOC3)nc2)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)16-20-17(23-21-16)14-5-6-15(19-10-14)18-8-3-4-13-7-9-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyNNXTZWXVWYEONN-UHFFFAOYSA-N
XLogP3.48
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 70740611) is N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccc(NCCCC3CCOC3)nc2)n1.
What is the InChIKey of N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is NNXTZWXVWYEONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)16-20-17(23-21-16)14-5-6-15(19-10-14)18-8-3-4-13-7-9-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-3-yl)propyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 70740611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).