N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine

C13H18N4O2 — CID 79776744

IUPACN-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
SMILESCCCc1noc(COc2ccc(CNC)nc2)n1
InChIInChI=1S/C13H18N4O2/c1-3-4-12-16-13(19-17-12)9-18-11-6-5-10(7-14-2)15-8-11/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyPGJYNFXOIKKJBA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds7

About N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine

N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine (PubChem CID 79776744) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
PubChem CID79776744
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
SMILESCCCc1noc(COc2ccc(CNC)nc2)n1
InChIInChI=1S/C13H18N4O2/c1-3-4-12-16-13(19-17-12)9-18-11-6-5-10(7-14-2)15-8-11/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyPGJYNFXOIKKJBA-UHFFFAOYSA-N
XLogP1.72
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carbaldehyde
CID 79794232
N-[[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783462
1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63322960
2-methyl-N-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79794903
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
CID 79776627
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60878906
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine (CID 79776744) is N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine is CCCc1noc(COc2ccc(CNC)nc2)n1.
What is the InChIKey of N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine?
The InChIKey is PGJYNFXOIKKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-4-12-16-13(19-17-12)9-18-11-6-5-10(7-14-2)15-8-11/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine?
N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 79776744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).