[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C20H23N3O2S — CID 127483479

IUPAC[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCCCC2c2nc3ccccc3o2)cs1
InChIInChI=1S/C20H23N3O2S/c1-13(2)11-18-21-15(12-26-18)20(24)23-10-6-5-8-16(23)19-22-14-7-3-4-9-17(14)25-19/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3
InChIKeyDAFQPJOINDVRLE-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.85
Rot. Bonds4

About [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 127483479) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID127483479
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCCCC2c2nc3ccccc3o2)cs1
InChIInChI=1S/C20H23N3O2S/c1-13(2)11-18-21-15(12-26-18)20(24)23-10-6-5-8-16(23)19-22-14-7-3-4-9-17(14)25-19/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3
InChIKeyDAFQPJOINDVRLE-UHFFFAOYSA-N
XLogP4.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 139007285
[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 164629782
(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 71849209
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 71849215
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120630505
1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355020
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
1-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 71849214

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 127483479) is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)Cc1nc(C(=O)N2CCCCC2c2nc3ccccc3o2)cs1.
What is the InChIKey of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is DAFQPJOINDVRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(2)11-18-21-15(12-26-18)20(24)23-10-6-5-8-16(23)19-22-14-7-3-4-9-17(14)25-19/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3.
What are the key properties of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 127483479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).