(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

C14H18FN3O2 — CID 78936141

IUPAC(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(F)ccc2[C@H](C)N)no1
InChIInChI=1S/C14H18FN3O2/c1-3-4-14-17-13(18-20-14)8-19-12-7-10(15)5-6-11(12)9(2)16/h5-7,9H,3-4,8,16H2,1-2H3/t9-/m0/s1
InChIKeyPMDAQVOYWULWRM-VIFPVBQESA-N
MW279.31 g/mol
LogP2.76
Rot. Bonds6

About (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 78936141) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID78936141
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(F)ccc2[C@H](C)N)no1
InChIInChI=1S/C14H18FN3O2/c1-3-4-14-17-13(18-20-14)8-19-12-7-10(15)5-6-11(12)9(2)16/h5-7,9H,3-4,8,16H2,1-2H3/t9-/m0/s1
InChIKeyPMDAQVOYWULWRM-VIFPVBQESA-N
XLogP2.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63368171
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065863
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63064418
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495515
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 78936141) is (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is CCCc1nc(COc2cc(F)ccc2[C@H](C)N)no1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is PMDAQVOYWULWRM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-4-14-17-13(18-20-14)8-19-12-7-10(15)5-6-11(12)9(2)16/h5-7,9H,3-4,8,16H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).