N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19FN2O — CID 79145569

IUPACN-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)(C)C)ccc1F
InChIInChI=1S/C15H19FN2O/c1-10-7-11(5-6-12(10)16)14-13(17-9-19-14)8-18-15(2,3)4/h5-7,9,18H,8H2,1-4H3
InChIKeyZBVQGQKVVCJARF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.68
Rot. Bonds3

About N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79145569) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79145569
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)(C)C)ccc1F
InChIInChI=1S/C15H19FN2O/c1-10-7-11(5-6-12(10)16)14-13(17-9-19-14)8-18-15(2,3)4/h5-7,9,18H,8H2,1-4H3
InChIKeyZBVQGQKVVCJARF-UHFFFAOYSA-N
XLogP3.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114824037
N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79146041
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79818496
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79145577
2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79212909
N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79145010
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061
N-[[5-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146106
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79145569) is N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(-c2ocnc2CNC(C)(C)C)ccc1F.
What is the InChIKey of N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZBVQGQKVVCJARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10-7-11(5-6-12(10)16)14-13(17-9-19-14)8-18-15(2,3)4/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79145569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).