4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide

C24H28N4O4 — CID 140934042

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyJSAPLZZLEPOAQH-LJQANCHMSA-N
MW436.51 g/mol
LogP2.71
Rot. Bonds6

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934042) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934042
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyJSAPLZZLEPOAQH-LJQANCHMSA-N
XLogP2.71
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide (CID 140934042) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide is COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is JSAPLZZLEPOAQH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).