N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine

C15H19FN2O — CID 103096716

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCCc1cnc(CNC(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN2O/c1-3-14-9-18-15(19-14)10-17-11(2)8-12-4-6-13(16)7-5-12/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyCYICMEGOHZUSRG-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 103096716) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID103096716
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCCc1cnc(CNC(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN2O/c1-3-14-9-18-15(19-14)10-17-11(2)8-12-4-6-13(16)7-5-12/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyCYICMEGOHZUSRG-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 103096716) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is CCc1cnc(CNC(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is CYICMEGOHZUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-14-9-18-15(19-14)10-17-11(2)8-12-4-6-13(16)7-5-12/h4-7,9,11,17H,3,8,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 103096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).