[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine

C18H17FN2O — CID 15895123

IUPAC[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CN)no1
InChIInChI=1S/C18H17FN2O/c1-12(18-10-15(11-20)21-22-18)14-7-8-16(17(19)9-14)13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3
InChIKeySJHYUKKFQZMPBJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.09
Rot. Bonds4

About [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine

[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 15895123) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID15895123
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CN)no1
InChIInChI=1S/C18H17FN2O/c1-12(18-10-15(11-20)21-22-18)14-7-8-16(17(19)9-14)13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3
InChIKeySJHYUKKFQZMPBJ-UHFFFAOYSA-N
XLogP4.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine (CID 15895123) is [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CN)no1.
What is the InChIKey of [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is SJHYUKKFQZMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12(18-10-15(11-20)21-22-18)14-7-8-16(17(19)9-14)13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3.
What are the key properties of [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine?
[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 296.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 15895123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).