[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H23N5O3 — CID 145069809

IUPAC[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC(C)(O)c1cc(C2CCCN(C(=O)c3ccccc3-n3nccn3)C2)on1
InChIInChI=1S/C20H23N5O3/c1-20(2,27)18-12-17(28-23-18)14-6-5-11-24(13-14)19(26)15-7-3-4-8-16(15)25-21-9-10-22-25/h3-4,7-10,12,14,27H,5-6,11,13H2,1-2H3
InChIKeyAMAZIMPRCSEIQZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.50
Rot. Bonds4

About [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145069809) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID145069809
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC(C)(O)c1cc(C2CCCN(C(=O)c3ccccc3-n3nccn3)C2)on1
InChIInChI=1S/C20H23N5O3/c1-20(2,27)18-12-17(28-23-18)14-6-5-11-24(13-14)19(26)15-7-3-4-8-16(15)25-21-9-10-22-25/h3-4,7-10,12,14,27H,5-6,11,13H2,1-2H3
InChIKeyAMAZIMPRCSEIQZ-UHFFFAOYSA-N
XLogP2.50
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 139565445
[(2R,5R)-5-[3-(1-cyclopropyl-1-hydroxyethyl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121344748
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739473
[2-(2,2-difluoroethoxy)phenyl]-[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]methanone
CID 121344716
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
[(2S,5R)-2-methyl-5-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146676327
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
[5-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123287194
[5-[5-[(2S)-2-hydroxybutan-2-yl]-1,2-oxazol-3-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146157833

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 145069809) is [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is CC(C)(O)c1cc(C2CCCN(C(=O)c3ccccc3-n3nccn3)C2)on1.
What is the InChIKey of [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AMAZIMPRCSEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20(2,27)18-12-17(28-23-18)14-6-5-11-24(13-14)19(26)15-7-3-4-8-16(15)25-21-9-10-22-25/h3-4,7-10,12,14,27H,5-6,11,13H2,1-2H3.
What are the key properties of [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 381.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145069809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).