3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline

C18H18FN3O2 — CID 56788798

IUPAC3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCc1nnc(C(C)Nc2cccc(COc3cccc(F)c3)c2)o1
InChIInChI=1S/C18H18FN3O2/c1-12(18-22-21-13(2)24-18)20-16-7-3-5-14(9-16)11-23-17-8-4-6-15(19)10-17/h3-10,12,20H,11H2,1-2H3
InChIKeyUTKMMVNWACZAFT-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.27
Rot. Bonds6

About 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline

3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (PubChem CID 56788798) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
PubChem CID56788798
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCc1nnc(C(C)Nc2cccc(COc3cccc(F)c3)c2)o1
InChIInChI=1S/C18H18FN3O2/c1-12(18-22-21-13(2)24-18)20-16-7-3-5-14(9-16)11-23-17-8-4-6-15(19)10-17/h3-10,12,20H,11H2,1-2H3
InChIKeyUTKMMVNWACZAFT-UHFFFAOYSA-N
XLogP4.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butoxy-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 95624519
3-butoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 56788826
N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 96531145
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (CID 56788798) is 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is Cc1nnc(C(C)Nc2cccc(COc3cccc(F)c3)c2)o1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The InChIKey is UTKMMVNWACZAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12(18-22-21-13(2)24-18)20-16-7-3-5-14(9-16)11-23-17-8-4-6-15(19)10-17/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline has a molecular weight of 327.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 56788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).