2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline

C13H11N3O2 — CID 62716630

IUPAC2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)c(-c2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H11N3O2/c1-8-4-5-10(14)9(7-8)13-15-12(16-18-13)11-3-2-6-17-11/h2-7H,14H2,1H3
InChIKeyHXOLHDJFERAVNO-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.89
Rot. Bonds2

About 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline (PubChem CID 62716630) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
PubChem CID62716630
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)c(-c2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H11N3O2/c1-8-4-5-10(14)9(7-8)13-15-12(16-18-13)11-3-2-6-17-11/h2-7H,14H2,1H3
InChIKeyHXOLHDJFERAVNO-UHFFFAOYSA-N
XLogP2.89
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.89
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

2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751072
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
2-bromo-5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813735
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391770
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329788
2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 79613479
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
4-chloro-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788895
4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 65133911

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline?
The IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline (CID 62716630) is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline.
What is the SMILES notation for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline?
The canonical SMILES for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline is Cc1ccc(N)c(-c2nc(-c3ccco3)no2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline?
The InChIKey is HXOLHDJFERAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-5-10(14)9(7-8)13-15-12(16-18-13)11-3-2-6-17-11/h2-7H,14H2,1H3.
What are the key properties of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline?
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline has a molecular weight of 241.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline is sourced from PubChem (CID 62716630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).