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

C21H23N3O3S — CID 166328343

IUPAC[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1cc(C2CCN(C(=O)c3ccc(OCc4csc(C)n4)cc3)CC2)on1
InChIInChI=1S/C21H23N3O3S/c1-14-11-20(27-23-14)16-7-9-24(10-8-16)21(25)17-3-5-19(6-4-17)26-12-18-13-28-15(2)22-18/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyNYRBHFVCVDFXGX-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.35
Rot. Bonds5

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

[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (PubChem CID 166328343) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
PubChem CID166328343
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1cc(C2CCN(C(=O)c3ccc(OCc4csc(C)n4)cc3)CC2)on1
InChIInChI=1S/C21H23N3O3S/c1-14-11-20(27-23-14)16-7-9-24(10-8-16)21(25)17-3-5-19(6-4-17)26-12-18-13-28-15(2)22-18/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyNYRBHFVCVDFXGX-UHFFFAOYSA-N
XLogP4.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 29202246
(4-methylpiperidin-1-yl)-[1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 55949056
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 9225627
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 40804918
(4-benzylpiperazin-1-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 9041632
[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226694
[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 55495671
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 38991132
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46611968

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (CID 166328343) is [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is Cc1cc(C2CCN(C(=O)c3ccc(OCc4csc(C)n4)cc3)CC2)on1.
What is the InChIKey of [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is NYRBHFVCVDFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-11-20(27-23-14)16-7-9-24(10-8-16)21(25)17-3-5-19(6-4-17)26-12-18-13-28-15(2)22-18/h3-6,11,13,16H,7-10,12H2,1-2H3.
What are the key properties of [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 397.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 166328343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).