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

C24H29N5O3 — CID 140934003

IUPAC4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCO/N=C1/C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C24H29N5O3/c1-16-7-5-14-26-22(16)29(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(28-31-4)24(2,3)32-27-20/h5,7,9-12,14,19,25H,6,8,13,15H2,1-4H3/b28-21-/t19-/m1/s1
InChIKeyCUXGNOZKDNLEJB-GVHIXNLUSA-N
MW435.53 g/mol
LogP3.30
Rot. Bonds5

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

4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934003) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934003
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCO/N=C1/C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C24H29N5O3/c1-16-7-5-14-26-22(16)29(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(28-31-4)24(2,3)32-27-20/h5,7,9-12,14,19,25H,6,8,13,15H2,1-4H3/b28-21-/t19-/m1/s1
InChIKeyCUXGNOZKDNLEJB-GVHIXNLUSA-N
XLogP3.30
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-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-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140934003) is 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is CO/N=C1/C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.
What is the InChIKey of 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is CUXGNOZKDNLEJB-GVHIXNLUSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-7-5-14-26-22(16)29(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(28-31-4)24(2,3)32-27-20/h5,7,9-12,14,19,25H,6,8,13,15H2,1-4H3/b28-21-/t19-/m1/s1.
What are the key properties of 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 435.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).