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

C14H17N3O3 — CID 116742192

IUPAC4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3ccc(N)cc3)n2)CCOCC1
InChIInChI=1S/C14H17N3O3/c1-18-14(6-8-19-9-7-14)13-16-12(20-17-13)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyYTSSLJRTQMUZHV-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.97
Rot. Bonds3

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

4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 116742192) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID116742192
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3ccc(N)cc3)n2)CCOCC1
InChIInChI=1S/C14H17N3O3/c1-18-14(6-8-19-9-7-14)13-16-12(20-17-13)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyYTSSLJRTQMUZHV-UHFFFAOYSA-N
XLogP1.97
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]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-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116742170
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904298
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116742334
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
CID 146142994
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 116742192) is 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline is COC1(c2noc(-c3ccc(N)cc3)n2)CCOCC1.
What is the InChIKey of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is YTSSLJRTQMUZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-14(6-8-19-9-7-14)13-16-12(20-17-13)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3.
What are the key properties of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 275.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 116742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).