N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

C16H15FN2O2 — CID 56673218

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C16H15FN2O2/c1-11-5-6-15(21-11)9-18-8-14-10-20-16(19-14)12-3-2-4-13(17)7-12/h2-7,10,18H,8-9H2,1H3
InChIKeySXGXBDPSAQAOHJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.67
Rot. Bonds5

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 56673218) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID56673218
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C16H15FN2O2/c1-11-5-6-15(21-11)9-18-8-14-10-20-16(19-14)12-3-2-4-13(17)7-12/h2-7,10,18H,8-9H2,1H3
InChIKeySXGXBDPSAQAOHJ-UHFFFAOYSA-N
XLogP3.67
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 56673218) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2coc(-c3cccc(F)c3)n2)o1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is SXGXBDPSAQAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11-5-6-15(21-11)9-18-8-14-10-20-16(19-14)12-3-2-4-13(17)7-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 286.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 56673218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).