(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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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).