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

C13H14ClFN2O — CID 65184050

IUPACN-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H14ClFN2O/c1-8(2)16-7-13-17-6-12(18-13)10-5-9(14)3-4-11(10)15/h3-6,8,16H,7H2,1-2H3
InChIKeyFGTNYZLNRDANLL-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.63
Rot. Bonds4

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

N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65184050) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65184050
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC NameN-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H14ClFN2O/c1-8(2)16-7-13-17-6-12(18-13)10-5-9(14)3-4-11(10)15/h3-6,8,16H,7H2,1-2H3
InChIKeyFGTNYZLNRDANLL-UHFFFAOYSA-N
XLogP3.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
N-[[5-(4-chloro-2-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183858
N-[[5-(2-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183955
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 107333671
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183949
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 82773672
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65184050) is N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2cc(Cl)ccc2F)o1.
What is the InChIKey of N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is FGTNYZLNRDANLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8(2)16-7-13-17-6-12(18-13)10-5-9(14)3-4-11(10)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 268.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65184050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).