4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine

C13H15FN2O2 — CID 116831911

IUPAC4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCOc1ccc(-c2nc(N)oc2CC)cc1F
InChIInChI=1S/C13H15FN2O2/c1-3-10-12(16-13(15)18-10)8-5-6-11(17-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyROZJAJARIUVNAD-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.02
Rot. Bonds4

About 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine

4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine (PubChem CID 116831911) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
PubChem CID116831911
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCOc1ccc(-c2nc(N)oc2CC)cc1F
InChIInChI=1S/C13H15FN2O2/c1-3-10-12(16-13(15)18-10)8-5-6-11(17-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyROZJAJARIUVNAD-UHFFFAOYSA-N
XLogP3.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
CID 116831941
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578077
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
CID 116831905
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine (CID 116831911) is 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine is CCOc1ccc(-c2nc(N)oc2CC)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine?
The InChIKey is ROZJAJARIUVNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-10-12(16-13(15)18-10)8-5-6-11(17-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine?
4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine has a molecular weight of 250.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).