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

C15H18ClFN2O — CID 81461939

IUPACN-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ncc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C15H18ClFN2O/c1-10(2)8-18-7-6-14-19-9-13(20-14)11-4-3-5-12(17)15(11)16/h3-5,9-10,18H,6-8H2,1-2H3
InChIKeyDEZOUKCJUCGRLD-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 81461939) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
PubChem CID81461939
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC NameN-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ncc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C15H18ClFN2O/c1-10(2)8-18-7-6-14-19-9-13(20-14)11-4-3-5-12(17)15(11)16/h3-5,9-10,18H,6-8H2,1-2H3
InChIKeyDEZOUKCJUCGRLD-UHFFFAOYSA-N
XLogP3.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81461243
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
CID 81461787
N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182657
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81263080
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
3-[5-(2,3-difluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65186886
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
N-[3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 81448764

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (CID 81461939) is N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCc1ncc(-c2cccc(F)c2Cl)o1.
What is the InChIKey of N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is DEZOUKCJUCGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-10(2)8-18-7-6-14-19-9-13(20-14)11-4-3-5-12(17)15(11)16/h3-5,9-10,18H,6-8H2,1-2H3.
What are the key properties of N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 296.77 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81461939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).