4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline

C12H15N3O2 — CID 115411779

IUPAC4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCCc1noc(-c2cc(OC)ccc2N)n1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-12(17-15-11)9-7-8(16-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3
InChIKeyUKNNWXIPKPYRLO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds4

About 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline

4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 115411779) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID115411779
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCCc1noc(-c2cc(OC)ccc2N)n1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-12(17-15-11)9-7-8(16-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3
InChIKeyUKNNWXIPKPYRLO-UHFFFAOYSA-N
XLogP2.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 113305049
4-methoxy-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411882
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738
4-methoxy-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985890
4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741295
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
4-methoxy-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 82896198
2-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 55065618
5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 28941934
3-chloro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 61398974
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline (CID 115411779) is 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline is CCCc1noc(-c2cc(OC)ccc2N)n1.
What is the InChIKey of 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is UKNNWXIPKPYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-11-14-12(17-15-11)9-7-8(16-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 233.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 115411779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).