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

C24H26FN3O2 — CID 58393578

IUPAC(3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2-c2ccno2)C1
InChIInChI=1S/C24H26FN3O2/c25-17-8-10-22(20(14-17)23-11-12-27-30-23)29-24-19-6-2-1-4-16(19)7-9-21(24)28-13-3-5-18(26)15-28/h1-2,4,6,8,10-12,14,18,21,24H,3,5,7,9,13,15,26H2/t18-,21+,24+/m1/s1
InChIKeyCANDHPHZPHZJLZ-ZHRMCQFGSA-N
MW407.49 g/mol
LogP4.34
Rot. Bonds4

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

(3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58393578) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58393578
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2-c2ccno2)C1
InChIInChI=1S/C24H26FN3O2/c25-17-8-10-22(20(14-17)23-11-12-27-30-23)29-24-19-6-2-1-4-16(19)7-9-21(24)28-13-3-5-18(26)15-28/h1-2,4,6,8,10-12,14,18,21,24H,3,5,7,9,13,15,26H2/t18-,21+,24+/m1/s1
InChIKeyCANDHPHZPHZJLZ-ZHRMCQFGSA-N
XLogP4.34
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58393578) is (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is N[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2-c2ccno2)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is CANDHPHZPHZJLZ-ZHRMCQFGSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-17-8-10-22(20(14-17)23-11-12-27-30-23)29-24-19-6-2-1-4-16(19)7-9-21(24)28-13-3-5-18(26)15-28/h1-2,4,6,8,10-12,14,18,21,24H,3,5,7,9,13,15,26H2/t18-,21+,24+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 407.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).