2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C12H15N3O — CID 62330251

IUPAC2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(Cc2noc(CCN)n2)cc1
InChIInChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)8-11-14-12(6-7-13)16-15-11/h2-5H,6-8,13H2,1H3
InChIKeyDKUBCLSLKLHVRP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.47
Rot. Bonds4

About 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62330251) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62330251
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(Cc2noc(CCN)n2)cc1
InChIInChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)8-11-14-12(6-7-13)16-15-11/h2-5H,6-8,13H2,1H3
InChIKeyDKUBCLSLKLHVRP-UHFFFAOYSA-N
XLogP1.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolamine
CID 13738
Proxazole
CID 8590
Sodium perchlorate hydrate
CID 270750
Slf1081851
CID 164517202
3-Phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxadiazole hydrochloride
CID 14637
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 16760237
2-[3-[(4-Methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878722
SLF1081851 hydrochloride
CID 164946799
2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 4976390
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3157458
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
3-[3-(4-Octylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboximidamide;hydrochloride
CID 118734400

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 62330251) is 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is Cc1ccc(Cc2noc(CCN)n2)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DKUBCLSLKLHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)8-11-14-12(6-7-13)16-15-11/h2-5H,6-8,13H2,1H3.
What are the key properties of 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62330251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).