N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline

C22H17FN2O2 — CID 56682804

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
SMILESFc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1
InChIInChI=1S/C22H17FN2O2/c23-17-6-4-5-16(13-17)22-25-19(15-26-22)14-24-18-9-11-21(12-10-18)27-20-7-2-1-3-8-20/h1-13,15,24H,14H2
InChIKeyODJOIFNJLUFNEP-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.89
Rot. Bonds6

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline (PubChem CID 56682804) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
PubChem CID56682804
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
SMILESFc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1
InChIInChI=1S/C22H17FN2O2/c23-17-6-4-5-16(13-17)22-25-19(15-26-22)14-24-18-9-11-21(12-10-18)27-20-7-2-1-3-8-20/h1-13,15,24H,14H2
InChIKeyODJOIFNJLUFNEP-UHFFFAOYSA-N
XLogP5.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56669444
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline (CID 56682804) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline is Fc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline?
The InChIKey is ODJOIFNJLUFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-17-6-4-5-16(13-17)22-25-19(15-26-22)14-24-18-9-11-21(12-10-18)27-20-7-2-1-3-8-20/h1-13,15,24H,14H2.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline has a molecular weight of 360.39 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 56682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).