4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine

C23H23FN2O3 — CID 58393844

IUPAC4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
SMILESFc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)c(-c2ccno2)c1
InChIInChI=1S/C23H23FN2O3/c24-17-6-8-21(19(15-17)22-9-10-25-29-22)28-23-18-4-2-1-3-16(18)5-7-20(23)26-11-13-27-14-12-26/h1-4,6,8-10,15,20,23H,5,7,11-14H2/t20-,23-/m0/s1
InChIKeyBVRWNYPRTGAKIX-REWPJTCUSA-N
MW394.45 g/mol
LogP4.25
Rot. Bonds4

About 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine

4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine (PubChem CID 58393844) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
PubChem CID58393844
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
SMILESFc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)c(-c2ccno2)c1
InChIInChI=1S/C23H23FN2O3/c24-17-6-8-21(19(15-17)22-9-10-25-29-22)28-23-18-4-2-1-3-16(18)5-7-20(23)26-11-13-27-14-12-26/h1-4,6,8-10,15,20,23H,5,7,11-14H2/t20-,23-/m0/s1
InChIKeyBVRWNYPRTGAKIX-REWPJTCUSA-N
XLogP4.25
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The IUPAC name of 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine (CID 58393844) is 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine.
What is the SMILES notation for 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The canonical SMILES for 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine is Fc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)c(-c2ccno2)c1.
What is the InChIKey of 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The InChIKey is BVRWNYPRTGAKIX-REWPJTCUSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-17-6-8-21(19(15-17)22-9-10-25-29-22)28-23-18-4-2-1-3-16(18)5-7-20(23)26-11-13-27-14-12-26/h1-4,6,8-10,15,20,23H,5,7,11-14H2/t20-,23-/m0/s1.
What are the key properties of 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine has a molecular weight of 394.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine is sourced from PubChem (CID 58393844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).