(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine

C16H16FN3O2 — CID 92785745

IUPAC(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
SMILESC[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccco1
InChIInChI=1S/C16H16FN3O2/c1-11(20(2)10-14-4-3-9-21-14)15-18-19-16(22-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyGOLVJJBUTQYCIU-NSHDSACASA-N
MW301.32 g/mol
LogP3.66
Rot. Bonds5

About (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine

(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine (PubChem CID 92785745) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
PubChem CID92785745
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
SMILESC[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccco1
InChIInChI=1S/C16H16FN3O2/c1-11(20(2)10-14-4-3-9-21-14)15-18-19-16(22-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyGOLVJJBUTQYCIU-NSHDSACASA-N
XLogP3.66
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 9450761
(1S)-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 41144748
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 157084252
(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95157002
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51312887
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine?
The IUPAC name of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine (CID 92785745) is (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine is C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccco1.
What is the InChIKey of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine?
The InChIKey is GOLVJJBUTQYCIU-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11(20(2)10-14-4-3-9-21-14)15-18-19-16(22-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine?
(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine has a molecular weight of 301.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 92785745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).