N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine

C10H12N4O — CID 62627315

IUPACN-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C10H12N4O/c1-7(11-2)10-13-9(14-15-10)8-4-3-5-12-6-8/h3-7,11H,1-2H3
InChIKeyCOQPYXPWWOOBFJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 62627315) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID62627315
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C10H12N4O/c1-7(11-2)10-13-9(14-15-10)8-4-3-5-12-6-8/h3-7,11H,1-2H3
InChIKeyCOQPYXPWWOOBFJ-UHFFFAOYSA-N
XLogP1.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63560095
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95718925
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307
2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
CID 95135430
3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125178000
6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 56714969
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 62627315) is N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is CNC(C)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is COQPYXPWWOOBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(11-2)10-13-9(14-15-10)8-4-3-5-12-6-8/h3-7,11H,1-2H3.
What are the key properties of N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 204.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 62627315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).