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

C13H11N3O3 — CID 107209217

IUPAC4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc(-c2ccoc2)no1
InChIInChI=1S/C13H11N3O3/c1-17-11-6-9(14)2-3-10(11)13-15-12(16-19-13)8-4-5-18-7-8/h2-7H,14H2,1H3
InChIKeyYXXUJYWNTLSMOM-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.59
Rot. Bonds3

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

4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline (PubChem CID 107209217) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
PubChem CID107209217
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc(-c2ccoc2)no1
InChIInChI=1S/C13H11N3O3/c1-17-11-6-9(14)2-3-10(11)13-15-12(16-19-13)8-4-5-18-7-8/h2-7H,14H2,1H3
InChIKeyYXXUJYWNTLSMOM-UHFFFAOYSA-N
XLogP2.59
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.59
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

4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209241
3-methoxy-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209176
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209288
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209228
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
4-(5-chloro-2-methoxyphenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
CID 43336120
6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 65348489
3-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline?
The IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline (CID 107209217) is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline.
What is the SMILES notation for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline?
The canonical SMILES for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline is COc1cc(N)ccc1-c1nc(-c2ccoc2)no1.
What is the InChIKey of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline?
The InChIKey is YXXUJYWNTLSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-17-11-6-9(14)2-3-10(11)13-15-12(16-19-13)8-4-5-18-7-8/h2-7H,14H2,1H3.
What are the key properties of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline?
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline has a molecular weight of 257.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline is sourced from PubChem (CID 107209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).