3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine

C18H17FN2O3 — CID 56775485

IUPAC3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine
SMILESFc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-5-3-13(4-6-14)17-8-15(21-24-17)9-18(11-22-12-18)20-10-16-2-1-7-23-16/h1-8,20H,9-12H2
InChIKeyYQWBGLCLGLSPMV-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.17
Rot. Bonds6

About 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine

3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine (PubChem CID 56775485) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine
PubChem CID56775485
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine
SMILESFc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-5-3-13(4-6-14)17-8-15(21-24-17)9-18(11-22-12-18)20-10-16-2-1-7-23-16/h1-8,20H,9-12H2
InChIKeyYQWBGLCLGLSPMV-UHFFFAOYSA-N
XLogP3.17
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine (CID 56775485) is 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine is Fc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine?
The InChIKey is YQWBGLCLGLSPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-5-3-13(4-6-14)17-8-15(21-24-17)9-18(11-22-12-18)20-10-16-2-1-7-23-16/h1-8,20H,9-12H2.
What are the key properties of 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine?
3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine has a molecular weight of 328.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-(furan-2-ylmethyl)oxetan-3-amine is sourced from PubChem (CID 56775485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).