2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine

C12H15FN2O — CID 115060912

IUPAC2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
SMILESNCCC1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11H,5-8,14H2
InChIKeyZZXAEWKEJLYSPR-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine

2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine (PubChem CID 115060912) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
PubChem CID115060912
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
SMILESNCCC1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11H,5-8,14H2
InChIKeyZZXAEWKEJLYSPR-UHFFFAOYSA-N
XLogP1.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine (CID 115060912) is 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine is NCCC1CN=C(Cc2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The InChIKey is ZZXAEWKEJLYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11H,5-8,14H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine has a molecular weight of 222.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115060912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).