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

C12H14FN3O — CID 114015374

IUPAC(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CN[C@H](C)c2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O/c1-8(10-3-5-11(13)6-4-10)14-7-12-16-15-9(2)17-12/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyZEELWJZGIJVKBX-MRVPVSSYSA-N
MW235.26 g/mol
LogP2.37
Rot. Bonds4

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

(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 114015374) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID114015374
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CN[C@H](C)c2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O/c1-8(10-3-5-11(13)6-4-10)14-7-12-16-15-9(2)17-12/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyZEELWJZGIJVKBX-MRVPVSSYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 102677243
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(1R)-1-(4-fluorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81348124
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 107914968
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 114015374) is (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is Cc1nnc(CN[C@H](C)c2ccc(F)cc2)o1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is ZEELWJZGIJVKBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(10-3-5-11(13)6-4-10)14-7-12-16-15-9(2)17-12/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 235.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114015374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).