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

C14H16ClFN2O — CID 81461243

IUPACN-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C14H16ClFN2O/c1-9(2)6-17-8-13-18-7-12(19-13)10-4-3-5-11(16)14(10)15/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyGLBCHOQQUBXWIJ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.88
Rot. Bonds5

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

N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81461243) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81461243
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC NameN-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C14H16ClFN2O/c1-9(2)6-17-8-13-18-7-12(19-13)10-4-3-5-11(16)14(10)15/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyGLBCHOQQUBXWIJ-UHFFFAOYSA-N
XLogP3.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81461939
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
CID 81461787
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 81461243) is N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(-c2cccc(F)c2Cl)o1.
What is the InChIKey of N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GLBCHOQQUBXWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-9(2)6-17-8-13-18-7-12(19-13)10-4-3-5-11(16)14(10)15/h3-5,7,9,17H,6,8H2,1-2H3.
What are the key properties of N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81461243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).