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

C23H26N4O4 — CID 140933971

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H26N4O4/c1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21/h5,7-11,13,17,24H,4,6,12,14H2,1-3H3/t17-/m1/s1
InChIKeyCFEJNJUAGGUQKH-QGZVFWFLSA-N
MW422.49 g/mol
LogP2.57
Rot. Bonds5

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933971) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933971
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H26N4O4/c1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21/h5,7-11,13,17,24H,4,6,12,14H2,1-3H3/t17-/m1/s1
InChIKeyCFEJNJUAGGUQKH-QGZVFWFLSA-N
XLogP2.57
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxy-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-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933971) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-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-methoxy-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-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is COc1cccnc1N(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-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is CFEJNJUAGGUQKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21/h5,7-11,13,17,24H,4,6,12,14H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.57, 5 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-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).