2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline

C24H27FN2O3 — CID 89165886

IUPAC2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline
SMILESCc1oc(-c2ccc(F)cc2)nc1COC1CCCC(OCc2ccccc2N)C1
InChIInChI=1S/C24H27FN2O3/c1-16-23(27-24(30-16)17-9-11-19(25)12-10-17)15-29-21-7-4-6-20(13-21)28-14-18-5-2-3-8-22(18)26/h2-3,5,8-12,20-21H,4,6-7,13-15,26H2,1H3
InChIKeyHOYOVIRFFPLHAI-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.42
Rot. Bonds7

About 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline

2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline (PubChem CID 89165886) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline.

Molecular Properties

Compound Name2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline
PubChem CID89165886
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline
SMILESCc1oc(-c2ccc(F)cc2)nc1COC1CCCC(OCc2ccccc2N)C1
InChIInChI=1S/C24H27FN2O3/c1-16-23(27-24(30-16)17-9-11-19(25)12-10-17)15-29-21-7-4-6-20(13-21)28-14-18-5-2-3-8-22(18)26/h2-3,5,8-12,20-21H,4,6-7,13-15,26H2,1H3
InChIKeyHOYOVIRFFPLHAI-UHFFFAOYSA-N
XLogP5.42
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline with MolForge

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Related Compounds

[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
CID 58763400
2-(4-fluorophenyl)-4-[[(1S,3R)-3-[(2-methoxy-5-nitrophenyl)methoxy]cyclohexyl]oxymethyl]-5-methyl-1,3-oxazole
CID 68858990
3-[(1S,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]propanal
CID 142936496
2-(4-fluorophenyl)-5-methyl-4-[[3-[[3-(2H-tetrazol-5-yl)phenyl]methoxy]cyclohexyl]oxymethyl]-1,3-oxazole
CID 58763381
2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid
CID 59659260
2-methyl-6-[[(1R,3S)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
CID 59997883
ethyl 2-ethyl-4-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoate
CID 66889113
5-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]-1,3-thiazolidine-2,4-dione
CID 58763409
[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 3,5-dinitrobenzoate
CID 87937702
[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 3-nitrobenzoate
CID 10049609
2-[[(1R,3S)-3-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
CID 59997895
[(1S,3R)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 4-methyl-3-nitrobenzenesulfonate
CID 87937742

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline?
The IUPAC name of 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline (CID 89165886) is 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline.
What is the SMILES notation for 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline?
The canonical SMILES for 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline is Cc1oc(-c2ccc(F)cc2)nc1COC1CCCC(OCc2ccccc2N)C1.
What is the InChIKey of 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline?
The InChIKey is HOYOVIRFFPLHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-23(27-24(30-16)17-9-11-19(25)12-10-17)15-29-21-7-4-6-20(13-21)28-14-18-5-2-3-8-22(18)26/h2-3,5,8-12,20-21H,4,6-7,13-15,26H2,1H3.
What are the key properties of 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline?
2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline has a molecular weight of 410.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline is sourced from PubChem (CID 89165886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).