1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

C16H23N3O2S — CID 138025027

IUPAC1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCCc1ncc(CN2CCC(O)(Cc3nc(C)cs3)CC2)o1
InChIInChI=1S/C16H23N3O2S/c1-3-14-17-9-13(21-14)10-19-6-4-16(20,5-7-19)8-15-18-12(2)11-22-15/h9,11,20H,3-8,10H2,1-2H3
InChIKeyBUNAMFZPYSNYNL-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.57
Rot. Bonds5

About 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 138025027) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID138025027
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCCc1ncc(CN2CCC(O)(Cc3nc(C)cs3)CC2)o1
InChIInChI=1S/C16H23N3O2S/c1-3-14-17-9-13(21-14)10-19-6-4-16(20,5-7-19)8-15-18-12(2)11-22-15/h9,11,20H,3-8,10H2,1-2H3
InChIKeyBUNAMFZPYSNYNL-UHFFFAOYSA-N
XLogP2.57
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol
CID 103982927
1-[4-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(2-methylpropoxy)propan-1-one
CID 126828412
1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
CID 79819374
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-propylazepan-4-ol
CID 79827475
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 135101410
2-ethyl-4-methyl-1,3-thiazole
CID 27440
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129473677
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
CID 98894829
4-[(4-bromothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153881
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339911

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 138025027) is 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is CCc1ncc(CN2CCC(O)(Cc3nc(C)cs3)CC2)o1.
What is the InChIKey of 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is BUNAMFZPYSNYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-14-17-9-13(21-14)10-19-6-4-16(20,5-7-19)8-15-18-12(2)11-22-15/h9,11,20H,3-8,10H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 321.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 138025027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).