[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

C19H23FN2O4 — CID 95214399

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)[C@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1
InChIInChI=1S/C19H23FN2O4/c1-19(2,24)13-5-4-8-22(10-13)18(23)16-11-26-17(21-16)12-25-15-7-3-6-14(20)9-15/h3,6-7,9,11,13,24H,4-5,8,10,12H2,1-2H3/t13-/m0/s1
InChIKeyQDQLFDVAUBWBAU-ZDUSSCGKSA-N
MW362.40 g/mol
LogP3.02
Rot. Bonds5

About [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 95214399) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
PubChem CID95214399
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)[C@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1
InChIInChI=1S/C19H23FN2O4/c1-19(2,24)13-5-4-8-22(10-13)18(23)16-11-26-17(21-16)12-25-15-7-3-6-14(20)9-15/h3,6-7,9,11,13,24H,4-5,8,10,12H2,1-2H3/t13-/m0/s1
InChIKeyQDQLFDVAUBWBAU-ZDUSSCGKSA-N
XLogP3.02
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
N-ethyl-N-[(3R)-1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 95205357
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
2-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 56746568
4-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-1,4-diazepan-2-one
CID 56747442
[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95206569
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56745012
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95189942
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 95214399) is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is CC(C)(O)[C@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The InChIKey is QDQLFDVAUBWBAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-19(2,24)13-5-4-8-22(10-13)18(23)16-11-26-17(21-16)12-25-15-7-3-6-14(20)9-15/h3,6-7,9,11,13,24H,4-5,8,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 362.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95214399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).