[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol

C14H19FN2O3 — CID 145468052

IUPAC[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCO[C@H](c1ccc(C2=NO[C@H](CO)C2)cc1)[C@H](N)CF
InChIInChI=1S/C14H19FN2O3/c1-19-14(12(16)7-15)10-4-2-9(3-5-10)13-6-11(8-18)20-17-13/h2-5,11-12,14,18H,6-8,16H2,1H3/t11-,12+,14+/m0/s1
InChIKeyYRWXRXZXTYYNEC-OUCADQQQSA-N
MW282.32 g/mol
LogP1.16
Rot. Bonds6

About [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol

[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 145468052) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID145468052
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCO[C@H](c1ccc(C2=NO[C@H](CO)C2)cc1)[C@H](N)CF
InChIInChI=1S/C14H19FN2O3/c1-19-14(12(16)7-15)10-4-2-9(3-5-10)13-6-11(8-18)20-17-13/h2-5,11-12,14,18H,6-8,16H2,1H3/t11-,12+,14+/m0/s1
InChIKeyYRWXRXZXTYYNEC-OUCADQQQSA-N
XLogP1.16
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 145468052) is [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol is CO[C@H](c1ccc(C2=NO[C@H](CO)C2)cc1)[C@H](N)CF.
What is the InChIKey of [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is YRWXRXZXTYYNEC-OUCADQQQSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-14(12(16)7-15)10-4-2-9(3-5-10)13-6-11(8-18)20-17-13/h2-5,11-12,14,18H,6-8,16H2,1H3/t11-,12+,14+/m0/s1.
What are the key properties of [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 282.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 145468052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).