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

C14H20N4O — CID 114878940

IUPACN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2cnccc2C)no1)C(C)NC
InChIInChI=1S/C14H20N4O/c1-5-11(10(3)15-4)14-17-13(18-19-14)12-8-16-7-6-9(12)2/h6-8,10-11,15H,5H2,1-4H3
InChIKeyKFTHKGGPZURNPW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds5

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

N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 114878940) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID114878940
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2cnccc2C)no1)C(C)NC
InChIInChI=1S/C14H20N4O/c1-5-11(10(3)15-4)14-17-13(18-19-14)12-8-16-7-6-9(12)2/h6-8,10-11,15H,5H2,1-4H3
InChIKeyKFTHKGGPZURNPW-UHFFFAOYSA-N
XLogP2.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63352155
N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878947
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 103084080
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107915811
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114876663
N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352199
N-[2-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 45235273
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348439
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 114877008

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 114878940) is N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(-c2cnccc2C)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is KFTHKGGPZURNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-11(10(3)15-4)14-17-13(18-19-14)12-8-16-7-6-9(12)2/h6-8,10-11,15H,5H2,1-4H3.
What are the key properties of N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.54, 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]pentan-2-amine is sourced from PubChem (CID 114878940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).