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

C13H15N3O3 — CID 115411856

IUPAC4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nc(C3CCCO3)no2)c1
InChIInChI=1S/C13H15N3O3/c1-17-8-4-5-10(14)9(7-8)13-15-12(16-19-13)11-3-2-6-18-11/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyGDJPAXPHGUSLQG-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.18
Rot. Bonds3

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

4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 115411856) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID115411856
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nc(C3CCCO3)no2)c1
InChIInChI=1S/C13H15N3O3/c1-17-8-4-5-10(14)9(7-8)13-15-12(16-19-13)11-3-2-6-18-11/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyGDJPAXPHGUSLQG-UHFFFAOYSA-N
XLogP2.18
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
4-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411862
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411915
2-fluoro-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331106
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331224
4-methoxy-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985890
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904136
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65331281
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 115411779
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 115411856) is 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is COc1ccc(N)c(-c2nc(C3CCCO3)no2)c1.
What is the InChIKey of 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is GDJPAXPHGUSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-17-8-4-5-10(14)9(7-8)13-15-12(16-19-13)11-3-2-6-18-11/h4-5,7,11H,2-3,6,14H2,1H3.
What are the key properties of 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 261.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 115411856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).