N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C20H21F2N3O2 — CID 17396021

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCN(Cc1ccc(OC)c(F)c1)C(C)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H21F2N3O2/c1-4-25(12-14-5-10-18(26-3)17(22)11-14)13(2)19-23-24-20(27-19)15-6-8-16(21)9-7-15/h5-11,13H,4,12H2,1-3H3
InChIKeyFRCPCHFLVBFJKV-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.61
Rot. Bonds7

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 17396021) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID17396021
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCN(Cc1ccc(OC)c(F)c1)C(C)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H21F2N3O2/c1-4-25(12-14-5-10-18(26-3)17(22)11-14)13(2)19-23-24-20(27-19)15-6-8-16(21)9-7-15/h5-11,13H,4,12H2,1-3H3
InChIKeyFRCPCHFLVBFJKV-UHFFFAOYSA-N
XLogP4.61
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 17396021) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCN(Cc1ccc(OC)c(F)c1)C(C)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is FRCPCHFLVBFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-4-25(12-14-5-10-18(26-3)17(22)11-14)13(2)19-23-24-20(27-19)15-6-8-16(21)9-7-15/h5-11,13H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 373.40 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 17396021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).