[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone

C26H26N4O3S — CID 110133751

IUPAC[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
SMILESCOc1ccccc1Cc1cnc(C2CCCN(C(=O)c3ccnc(-c4scnc4C)c3)C2)o1
InChIInChI=1S/C26H26N4O3S/c1-17-24(34-16-29-17)22-13-19(9-10-27-22)26(31)30-11-5-7-20(15-30)25-28-14-21(33-25)12-18-6-3-4-8-23(18)32-2/h3-4,6,8-10,13-14,16,20H,5,7,11-12,15H2,1-2H3
InChIKeyNRUBMVIJOARYII-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.12
Rot. Bonds6

About [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone

[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (PubChem CID 110133751) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
PubChem CID110133751
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
SMILESCOc1ccccc1Cc1cnc(C2CCCN(C(=O)c3ccnc(-c4scnc4C)c3)C2)o1
InChIInChI=1S/C26H26N4O3S/c1-17-24(34-16-29-17)22-13-19(9-10-27-22)26(31)30-11-5-7-20(15-30)25-28-14-21(33-25)12-18-6-3-4-8-23(18)32-2/h3-4,6,8-10,13-14,16,20H,5,7,11-12,15H2,1-2H3
InChIKeyNRUBMVIJOARYII-UHFFFAOYSA-N
XLogP5.12
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
CID 124985420
[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
CID 110120172
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124945906
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]methanone
CID 129455103
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110120003
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110120018
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124962015
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125023195
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 125018162
6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110133733
(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129458490
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 124942817

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?
The IUPAC name of [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (CID 110133751) is [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?
The canonical SMILES for [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone is COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3ccnc(-c4scnc4C)c3)C2)o1.
What is the InChIKey of [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?
The InChIKey is NRUBMVIJOARYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17-24(34-16-29-17)22-13-19(9-10-27-22)26(31)30-11-5-7-20(15-30)25-28-14-21(33-25)12-18-6-3-4-8-23(18)32-2/h3-4,6,8-10,13-14,16,20H,5,7,11-12,15H2,1-2H3.
What are the key properties of [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone has a molecular weight of 474.59 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 110133751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).