(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

C16H19N3O3 — CID 45488193

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C16H19N3O3/c1-11-14(12(2)22-18-11)15(20)19-9-6-16(21,7-10-19)13-5-3-4-8-17-13/h3-5,8,21H,6-7,9-10H2,1-2H3
InChIKeyYAOAGVCKLJPCHQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.81
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 45488193) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID45488193
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C16H19N3O3/c1-11-14(12(2)22-18-11)15(20)19-9-6-16(21,7-10-19)13-5-3-4-8-17-13/h3-5,8,21H,6-7,9-10H2,1-2H3
InChIKeyYAOAGVCKLJPCHQ-UHFFFAOYSA-N
XLogP1.81
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
5-Methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid
CID 656040
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 1122041
5-Methyl-3-pyridin-3-yl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 137638393
5-methyl-3-phenyl-N,N-bis(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 2738482
N,5-dimethyl-3-phenyl-N-[2-(2-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 2814675
5-methyl-3-phenyl-N-[2-(4-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 6460006
5-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 700862
5-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 700880

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 45488193) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is YAOAGVCKLJPCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-14(12(2)22-18-11)15(20)19-9-6-16(21,7-10-19)13-5-3-4-8-17-13/h3-5,8,21H,6-7,9-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45488193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).