(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C17H23N3O3 — CID 56747628

IUPAC(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCC1=NOC(C)(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H23N3O3/c1-12-4-5-14(18-11-12)17(22)6-8-20(9-7-17)15(21)16(3)10-13(2)19-23-16/h4-5,11,22H,6-10H2,1-3H3
InChIKeyKEHVSWKYSYZPFO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds2

About (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 56747628) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID56747628
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCC1=NOC(C)(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H23N3O3/c1-12-4-5-14(18-11-12)17(22)6-8-20(9-7-17)15(21)16(3)10-13(2)19-23-16/h4-5,11,22H,6-10H2,1-3H3
InChIKeyKEHVSWKYSYZPFO-UHFFFAOYSA-N
XLogP1.75
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 118784308
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 97142075
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 56747628) is (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is CC1=NOC(C)(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1.
What is the InChIKey of (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is KEHVSWKYSYZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-4-5-14(18-11-12)17(22)6-8-20(9-7-17)15(21)16(3)10-13(2)19-23-16/h4-5,11,22H,6-10H2,1-3H3.
What are the key properties of (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56747628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).