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

C15H18FN3O — CID 63188328

IUPAC2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1
InChIInChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyFHGQMOSHACCQQH-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.75
Rot. Bonds2

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

2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63188328) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63188328
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1
InChIInChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyFHGQMOSHACCQQH-UHFFFAOYSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331106
3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62927064
2-bromo-6-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113320
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63743445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63188328) is 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is CC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1.
What is the InChIKey of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is FHGQMOSHACCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3.
What are the key properties of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 275.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63188328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).