N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine

C18H19N5O3 — CID 155230850

IUPACN-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CCOCC3)cn2)no1
InChIInChI=1S/C18H19N5O3/c1-12-3-2-8-19-16(12)21-18-22-17(23-26-18)15-5-4-14(11-20-15)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,21,22,23)
InChIKeyGIOMFYDUUAVETN-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.14
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine

N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine (PubChem CID 155230850) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine
PubChem CID155230850
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CCOCC3)cn2)no1
InChIInChI=1S/C18H19N5O3/c1-12-3-2-8-19-16(12)21-18-22-17(23-26-18)15-5-4-14(11-20-15)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,21,22,23)
InChIKeyGIOMFYDUUAVETN-UHFFFAOYSA-N
XLogP3.14
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine (CID 155230850) is N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine is Cc1cccnc1Nc1nc(-c2ccc(OC3CCOCC3)cn2)no1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is GIOMFYDUUAVETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-3-2-8-19-16(12)21-18-22-17(23-26-18)15-5-4-14(11-20-15)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,21,22,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine?
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 353.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 155230850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).