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

C14H17FN2O — CID 113246407

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1cnc(CNC(C)c2cccc(F)c2)o1
InChIInChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-10(2)11-5-4-6-12(15)7-11/h4-8,10,16H,3,9H2,1-2H3
InChIKeyGKCNXRTXOZDDEB-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.23
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 113246407) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID113246407
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1cnc(CNC(C)c2cccc(F)c2)o1
InChIInChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-10(2)11-5-4-6-12(15)7-11/h4-8,10,16H,3,9H2,1-2H3
InChIKeyGKCNXRTXOZDDEB-UHFFFAOYSA-N
XLogP3.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 103913333
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103912622
1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368810
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 103912804
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368846
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 113246407) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is CCc1cnc(CNC(C)c2cccc(F)c2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is GKCNXRTXOZDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-10(2)11-5-4-6-12(15)7-11/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 248.30 g/mol, XLogP of 3.23, 5 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-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 113246407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).