(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C14H16N2O3S — CID 80706468

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C14H16N2O3S/c1-14(18)4-6-16(7-5-14)13(17)10-9-11(19-15-10)12-3-2-8-20-12/h2-3,8-9,18H,4-7H2,1H3
InChIKeyBIAJLQQEGTZVJT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds2

About (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 80706468) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID80706468
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C14H16N2O3S/c1-14(18)4-6-16(7-5-14)13(17)10-9-11(19-15-10)12-3-2-8-20-12/h2-3,8-9,18H,4-7H2,1H3
InChIKeyBIAJLQQEGTZVJT-UHFFFAOYSA-N
XLogP2.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 167921537
cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134035765
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 80703277
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55529250
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 80706468) is (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is CC1(O)CCN(C(=O)c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is BIAJLQQEGTZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(18)4-6-16(7-5-14)13(17)10-9-11(19-15-10)12-3-2-8-20-12/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 80706468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).