N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

C15H19FN2O2 — CID 62459392

IUPACN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-9-12-8-14(20-18-12)10-19-13-6-4-5-11(16)7-13/h4-8,17H,9-10H2,1-3H3
InChIKeyCKYDCMQYZMYKEB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.28
Rot. Bonds5

About N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62459392) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62459392
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-9-12-8-14(20-18-12)10-19-13-6-4-5-11(16)7-13/h4-8,17H,9-10H2,1-3H3
InChIKeyCKYDCMQYZMYKEB-UHFFFAOYSA-N
XLogP3.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62450541
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107661175
2-methyl-N-[[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62443200
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
2-methyl-N-[[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82957332
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 62459392) is N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(COc2cccc(F)c2)on1.
What is the InChIKey of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CKYDCMQYZMYKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)17-9-12-8-14(20-18-12)10-19-13-6-4-5-11(16)7-13/h4-8,17H,9-10H2,1-3H3.
What are the key properties of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62459392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).