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

C15H20N4O2 — CID 66252106

IUPAC4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C15H20N4O2/c1-3-5-16-13-9-20-8-11(13)15-18-14(19-21-15)12-7-10(2)4-6-17-12/h4,6-7,11,13,16H,3,5,8-9H2,1-2H3
InChIKeyBBYMJKDNLVTGGE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.92
Rot. Bonds5

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

4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (PubChem CID 66252106) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
PubChem CID66252106
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C15H20N4O2/c1-3-5-16-13-9-20-8-11(13)15-18-14(19-21-15)12-7-10(2)4-6-17-12/h4,6-7,11,13,16H,3,5,8-9H2,1-2H3
InChIKeyBBYMJKDNLVTGGE-UHFFFAOYSA-N
XLogP1.92
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (CID 66252106) is 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The InChIKey is BBYMJKDNLVTGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-5-16-13-9-20-8-11(13)15-18-14(19-21-15)12-7-10(2)4-6-17-12/h4,6-7,11,13,16H,3,5,8-9H2,1-2H3.
What are the key properties of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine has a molecular weight of 288.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66252106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).