2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C14H20N4O2 — CID 104637304

IUPAC2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1ncccc1-c1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C14H20N4O2/c1-9(2)19-8-14(4,15)13-17-12(20-18-13)11-6-5-7-16-10(11)3/h5-7,9H,8,15H2,1-4H3
InChIKeyMKWOORREJDWGRF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds5

About 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637304) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637304
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1ncccc1-c1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C14H20N4O2/c1-9(2)19-8-14(4,15)13-17-12(20-18-13)11-6-5-7-16-10(11)3/h5-7,9H,8,15H2,1-4H3
InChIKeyMKWOORREJDWGRF-UHFFFAOYSA-N
XLogP2.04
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637304) is 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is Cc1ncccc1-c1nc(C(C)(N)COC(C)C)no1.
What is the InChIKey of 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is MKWOORREJDWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)19-8-14(4,15)13-17-12(20-18-13)11-6-5-7-16-10(11)3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).