N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C18H18FN3O3 — CID 50970345

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESFc1ccc(C2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1
InChIInChI=1S/C18H18FN3O3/c19-14-5-3-13(4-6-14)18(7-9-23-12-18)11-20-10-16-21-17(22-25-16)15-2-1-8-24-15/h1-6,8,20H,7,9-12H2
InChIKeyKTNHBNBTNFPVEY-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.92
Rot. Bonds6

About N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 50970345) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID50970345
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESFc1ccc(C2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1
InChIInChI=1S/C18H18FN3O3/c19-14-5-3-13(4-6-14)18(7-9-23-12-18)11-20-10-16-21-17(22-25-16)15-2-1-8-24-15/h1-6,8,20H,7,9-12H2
InChIKeyKTNHBNBTNFPVEY-UHFFFAOYSA-N
XLogP2.92
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 50970345) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is Fc1ccc(C2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KTNHBNBTNFPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-14-5-3-13(4-6-14)18(7-9-23-12-18)11-20-10-16-21-17(22-25-16)15-2-1-8-24-15/h1-6,8,20H,7,9-12H2.
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 343.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 50970345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).