N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

C15H19FN2O2 — CID 107170711

IUPACN-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2nc(CNCC(C)C)co2)cc1F
InChIInChI=1S/C15H19FN2O2/c1-10(2)7-17-8-12-9-19-15(18-12)20-13-5-4-11(3)14(16)6-13/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyXPRLFHRXCLPRPH-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107170711) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID107170711
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2nc(CNCC(C)C)co2)cc1F
InChIInChI=1S/C15H19FN2O2/c1-10(2)7-17-8-12-9-19-15(18-12)20-13-5-4-11(3)14(16)6-13/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyXPRLFHRXCLPRPH-UHFFFAOYSA-N
XLogP3.66
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-fluoro-4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107170637
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107170646
N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746589
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[2-(3-iodophenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113378029
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107382420
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
N-[[2-(5-bromo-2-fluorophenoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114676722

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 107170711) is N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(Oc2nc(CNCC(C)C)co2)cc1F.
What is the InChIKey of N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XPRLFHRXCLPRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)7-17-8-12-9-19-15(18-12)20-13-5-4-11(3)14(16)6-13/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107170711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).