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

C14H16BrFN2O — CID 65184324

IUPACN-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H16BrFN2O/c1-14(2,3)18-8-13-17-7-12(19-13)10-5-4-9(15)6-11(10)16/h4-7,18H,8H2,1-3H3
InChIKeyZZEHVGUZWBWBIP-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.13
Rot. Bonds3

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

N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65184324) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65184324
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC NameN-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H16BrFN2O/c1-14(2,3)18-8-13-17-7-12(19-13)10-5-4-9(15)6-11(10)16/h4-7,18H,8H2,1-3H3
InChIKeyZZEHVGUZWBWBIP-UHFFFAOYSA-N
XLogP4.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261
N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 107333671
N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106690336
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114018757
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79807749
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 65184324) is N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZZEHVGUZWBWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-14(2,3)18-8-13-17-7-12(19-13)10-5-4-9(15)6-11(10)16/h4-7,18H,8H2,1-3H3.
What are the key properties of N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 327.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).