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

C16H21N3O2 — CID 63745361

IUPAC2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCC1CCCC(c2noc(COc3ccccc3N)n2)C1
InChIInChI=1S/C16H21N3O2/c1-11-5-4-6-12(9-11)16-18-15(21-19-16)10-20-14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3
InChIKeySYDNHGMZSUCWGN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds4

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

2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 63745361) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID63745361
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCC1CCCC(c2noc(COc3ccccc3N)n2)C1
InChIInChI=1S/C16H21N3O2/c1-11-5-4-6-12(9-11)16-18-15(21-19-16)10-20-14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3
InChIKeySYDNHGMZSUCWGN-UHFFFAOYSA-N
XLogP3.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.52
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-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65422733
2-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115335954
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535937
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 65389709
3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 30029423

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 63745361) is 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is CC1CCCC(c2noc(COc3ccccc3N)n2)C1.
What is the InChIKey of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is SYDNHGMZSUCWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-5-4-6-12(9-11)16-18-15(21-19-16)10-20-14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3.
What are the key properties of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 63745361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).