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

C14H19N3O3 — CID 116740363

IUPAC4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCCC(C)(OC)c1noc(COc2ccc(N)cc2)n1
InChIInChI=1S/C14H19N3O3/c1-4-14(2,18-3)13-16-12(20-17-13)9-19-11-7-5-10(15)6-8-11/h5-8H,4,9,15H2,1-3H3
InChIKeyCOQFOWOJIGJWFF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.50
Rot. Bonds6

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

4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 116740363) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID116740363
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCCC(C)(OC)c1noc(COc2ccc(N)cc2)n1
InChIInChI=1S/C14H19N3O3/c1-4-14(2,18-3)13-16-12(20-17-13)9-19-11-7-5-10(15)6-8-11/h5-8H,4,9,15H2,1-3H3
InChIKeyCOQFOWOJIGJWFF-UHFFFAOYSA-N
XLogP2.50
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116740534
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
2-[5-[(4-bromo-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65203605
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790240
4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116740345
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116740355

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 116740363) is 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is CCC(C)(OC)c1noc(COc2ccc(N)cc2)n1.
What is the InChIKey of 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is COQFOWOJIGJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-14(2,18-3)13-16-12(20-17-13)9-19-11-7-5-10(15)6-8-11/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 277.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 116740363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).