4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline

C10H11N3O2 — CID 50988182

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
SMILESCc1nc(COc2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O2/c1-7-12-10(13-15-7)6-14-9-4-2-8(11)3-5-9/h2-5H,6,11H2,1H3
InChIKeyLZGIJXXENDDPHB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.54
Rot. Bonds3

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline (PubChem CID 50988182) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
PubChem CID50988182
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
SMILESCc1nc(COc2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O2/c1-7-12-10(13-15-7)6-14-9-4-2-8(11)3-5-9/h2-5H,6,11H2,1H3
InChIKeyLZGIJXXENDDPHB-UHFFFAOYSA-N
XLogP1.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61035214
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800090
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
2-(2,6-dimethylphenoxy)ethyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692359

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline (CID 50988182) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline is Cc1nc(COc2ccc(N)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline?
The InChIKey is LZGIJXXENDDPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-12-10(13-15-7)6-14-9-4-2-8(11)3-5-9/h2-5H,6,11H2,1H3.
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline has a molecular weight of 205.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline is sourced from PubChem (CID 50988182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).