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

C12H16N4O — CID 114876515

IUPACN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(-c2cnccc2C)no1
InChIInChI=1S/C12H16N4O/c1-9-5-7-14-8-10(9)12-15-11(17-16-12)4-3-6-13-2/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyMTMFWXSFTBYXPN-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds5

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

N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 114876515) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID114876515
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(-c2cnccc2C)no1
InChIInChI=1S/C12H16N4O/c1-9-5-7-14-8-10(9)12-15-11(17-16-12)4-3-6-13-2/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyMTMFWXSFTBYXPN-UHFFFAOYSA-N
XLogP1.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 114877017
O-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 114876733
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 114878987
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 107923497
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 114876515) is N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CNCCCc1nc(-c2cnccc2C)no1.
What is the InChIKey of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is MTMFWXSFTBYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-5-7-14-8-10(9)12-15-11(17-16-12)4-3-6-13-2/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 114876515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).