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

C16H15N3O2 — CID 30029378

IUPAC3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCc1ccccc1-c1noc(COc2cccc(N)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-5-2-3-8-14(11)16-18-15(21-19-16)10-20-13-7-4-6-12(17)9-13/h2-9H,10,17H2,1H3
InChIKeyOUVSIASGOBIWKS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds4

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

3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 30029378) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID30029378
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCc1ccccc1-c1noc(COc2cccc(N)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-5-2-3-8-14(11)16-18-15(21-19-16)10-20-13-7-4-6-12(17)9-13/h2-9H,10,17H2,1H3
InChIKeyOUVSIASGOBIWKS-UHFFFAOYSA-N
XLogP3.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
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-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7894242
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 17325291
5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926658
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
3-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 107925065
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65134780
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 30029378) is 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is Cc1ccccc1-c1noc(COc2cccc(N)c2)n1.
What is the InChIKey of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is OUVSIASGOBIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-2-3-8-14(11)16-18-15(21-19-16)10-20-13-7-4-6-12(17)9-13/h2-9H,10,17H2,1H3.
What are the key properties of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 281.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 30029378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).