N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C14H16BrFN2O — CID 65183077

IUPACN-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C14H16BrFN2O/c1-3-6-17-9(2)14-18-8-13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyAPGFSRNUVZXJNO-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.30
Rot. Bonds5

About N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183077) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183077
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC NameN-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C14H16BrFN2O/c1-3-6-17-9(2)14-18-8-13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyAPGFSRNUVZXJNO-UHFFFAOYSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 114375998
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183435
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole
CID 166610249
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181303
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182827
N-ethyl-1-[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 79756753
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179881

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183077) is N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is APGFSRNUVZXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-6-17-9(2)14-18-8-13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3.
What are the key properties of N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 327.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).