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

C24H28N4O3 — CID 140933898

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O3/c1-4-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(29)24(2,3)31-27-20/h5,7,9-12,14,19,25H,4,6,8,13,15H2,1-3H3/t19-/m1/s1
InChIKeyLWXYXIRRMHVLGA-LJQANCHMSA-N
MW420.51 g/mol
LogP3.12
Rot. Bonds5

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933898) 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-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933898
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O3/c1-4-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(29)24(2,3)31-27-20/h5,7,9-12,14,19,25H,4,6,8,13,15H2,1-3H3/t19-/m1/s1
InChIKeyLWXYXIRRMHVLGA-LJQANCHMSA-N
XLogP3.12
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-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-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933898) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-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-ethyl-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-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is CCc1cccnc1N(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-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is LWXYXIRRMHVLGA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(29)24(2,3)31-27-20/h5,7,9-12,14,19,25H,4,6,8,13,15H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.12, 5 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-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).