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

C24H28N4O3 — CID 140933921

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(C)c1
InChIInChI=1S/C24H28N4O3/c1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20/h7-10,12-13,19,25H,5-6,11,14H2,1-4H3/t19-/m1/s1
InChIKeyAUQYSMVUIIXEGC-LJQANCHMSA-N
MW420.51 g/mol
LogP3.18
Rot. Bonds4

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933921) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933921
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(C)c1
InChIInChI=1S/C24H28N4O3/c1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20/h7-10,12-13,19,25H,5-6,11,14H2,1-4H3/t19-/m1/s1
InChIKeyAUQYSMVUIIXEGC-LJQANCHMSA-N
XLogP3.18
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-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-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933921) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-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-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(C)c1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is AUQYSMVUIIXEGC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20/h7-10,12-13,19,25H,5-6,11,14H2,1-4H3/t19-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).