N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

C12H15N3O2 — CID 62596320

IUPACN-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h3-6H,7-8H2,1-2H3,(H,13,14,15)
InChIKeyDAHFYJWDXZJUBL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.10
Rot. Bonds5

About N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62596320) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID62596320
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h3-6H,7-8H2,1-2H3,(H,13,14,15)
InChIKeyDAHFYJWDXZJUBL-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.10
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-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 133466528
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 113337349
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 113329658
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
CID 131936556
3-(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-1,2,4-oxadiazol-5-amine
CID 46276315
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 20952697
3-(4-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 62596320) is N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DAHFYJWDXZJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h3-6H,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 233.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).