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

C15H19N3O3 — CID 107209258

IUPAC3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(N)ccc1-c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-6-5-10(16)9-12(11)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyAPJYRPJMDZLJMG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds3

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

3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 107209258) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID107209258
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(N)ccc1-c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-6-5-10(16)9-12(11)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyAPJYRPJMDZLJMG-UHFFFAOYSA-N
XLogP2.74
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
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-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(2-methoxyphenyl)acetamide
CID 2202984
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 3236909
4-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethylaniline
CID 15665937
N-(4-acetylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 16016093
N-(4-acetylphenyl)-2-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
CID 16016123
N-(4-acetylphenyl)-2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
CID 16016125
N-(4-acetylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 16016147
N-(4-acetylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 16016155
5-Amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136961503
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591443
N-[4-(dimethylcarbamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 40114532

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 107209258) is 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is COc1cc(N)ccc1-c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is APJYRPJMDZLJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-6-5-10(16)9-12(11)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 289.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 107209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).