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

C12H15FN2O — CID 89233138

IUPAC1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCC1=NOC(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-7,14H2,1H3
InChIKeyPIGJWGPOMMRZAW-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.38
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (PubChem CID 89233138) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
PubChem CID89233138
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCC1=NOC(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-7,14H2,1H3
InChIKeyPIGJWGPOMMRZAW-UHFFFAOYSA-N
XLogP2.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (CID 89233138) is 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is CC1=NOC(CC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The InChIKey is PIGJWGPOMMRZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-7,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine has a molecular weight of 222.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 89233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).