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

C16H21N3O2 — CID 63743445

IUPAC2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(-c2nc(C3CCC(C)CC3)no2)cc1N
InChIInChI=1S/C16H21N3O2/c1-10-3-5-11(6-4-10)15-18-16(21-19-15)12-7-8-14(20-2)13(17)9-12/h7-11H,3-6,17H2,1-2H3
InChIKeyYYFCDFYDBOVRTE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.62
Rot. Bonds3

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

2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63743445) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63743445
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(-c2nc(C3CCC(C)CC3)no2)cc1N
InChIInChI=1S/C16H21N3O2/c1-10-3-5-11(6-4-10)15-18-16(21-19-15)12-7-8-14(20-2)13(17)9-12/h7-11H,3-6,17H2,1-2H3
InChIKeyYYFCDFYDBOVRTE-UHFFFAOYSA-N
XLogP3.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.62
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-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751119
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63744294
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
2-bromo-4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392847
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63743445) is 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is COc1ccc(-c2nc(C3CCC(C)CC3)no2)cc1N.
What is the InChIKey of 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is YYFCDFYDBOVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-3-5-11(6-4-10)15-18-16(21-19-15)12-7-8-14(20-2)13(17)9-12/h7-11H,3-6,17H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63743445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).