1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine

C18H17FN2O2 — CID 23072532

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine
SMILESFc1cccc(COc2ccc(CNCc3cnco3)cc2)c1
InChIInChI=1S/C18H17FN2O2/c19-16-3-1-2-15(8-16)12-22-17-6-4-14(5-7-17)9-20-10-18-11-21-13-23-18/h1-8,11,13,20H,9-10,12H2
InChIKeyDJFIGAPAGLLYKI-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.68
Rot. Bonds7

About 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine (PubChem CID 23072532) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine
PubChem CID23072532
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine
SMILESFc1cccc(COc2ccc(CNCc3cnco3)cc2)c1
InChIInChI=1S/C18H17FN2O2/c19-16-3-1-2-15(8-16)12-22-17-6-4-14(5-7-17)9-20-10-18-11-21-13-23-18/h1-8,11,13,20H,9-10,12H2
InChIKeyDJFIGAPAGLLYKI-UHFFFAOYSA-N
XLogP3.68
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 11301932
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine (CID 23072532) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine is Fc1cccc(COc2ccc(CNCc3cnco3)cc2)c1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine?
The InChIKey is DJFIGAPAGLLYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-3-1-2-15(8-16)12-22-17-6-4-14(5-7-17)9-20-10-18-11-21-13-23-18/h1-8,11,13,20H,9-10,12H2.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine has a molecular weight of 312.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 23072532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).