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

C12H16N4O2 — CID 79800090

IUPAC1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCc1nc(COc2ccc(CC(C)N)nc2)no1
InChIInChI=1S/C12H16N4O2/c1-8(13)5-10-3-4-11(6-14-10)17-7-12-15-9(2)18-16-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyKQKSGBPRFVZAMH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.24
Rot. Bonds5

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

1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 79800090) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID79800090
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCc1nc(COc2ccc(CC(C)N)nc2)no1
InChIInChI=1S/C12H16N4O2/c1-8(13)5-10-3-4-11(6-14-10)17-7-12-15-9(2)18-16-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyKQKSGBPRFVZAMH-UHFFFAOYSA-N
XLogP1.24
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 107693169
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine (CID 79800090) is 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine is Cc1nc(COc2ccc(CC(C)N)nc2)no1.
What is the InChIKey of 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is KQKSGBPRFVZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(13)5-10-3-4-11(6-14-10)17-7-12-15-9(2)18-16-12/h3-4,6,8H,5,7,13H2,1-2H3.
What are the key properties of 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79800090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).