N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine

C14H14BrF3N2O — CID 107333671

IUPACN-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H14BrF3N2O/c1-8(2)19-7-13-20-6-12(21-13)10-4-3-9(15)5-11(10)14(16,17)18/h3-6,8,19H,7H2,1-2H3
InChIKeyLSFQHNIIQPSPFJ-UHFFFAOYSA-N
MW363.18 g/mol
LogP4.62
Rot. Bonds4

About N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine

N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 107333671) has the molecular formula C14H14BrF3N2O and a molecular weight of 363.18 g/mol. Its IUPAC name is N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID107333671
Molecular FormulaC14H14BrF3N2O
Molecular Weight363.18 g/mol
Exact Mass362.02
IUPAC NameN-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H14BrF3N2O/c1-8(2)19-7-13-20-6-12(21-13)10-4-3-9(15)5-11(10)14(16,17)18/h3-6,8,19H,7H2,1-2H3
InChIKeyLSFQHNIIQPSPFJ-UHFFFAOYSA-N
XLogP4.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183955
N-[[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62690854
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184050
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183949
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261
N-[[5-(4-chloro-2-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183858
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62498917
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183857

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 107333671) is N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is LSFQHNIIQPSPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O/c1-8(2)19-7-13-20-6-12(21-13)10-4-3-9(15)5-11(10)14(16,17)18/h3-6,8,19H,7H2,1-2H3.
What are the key properties of N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 363.18 g/mol, XLogP of 4.62, 4 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-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107333671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).