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

C26H34N4O4 — CID 140934014

IUPAC4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCCOC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C26H34N4O4/c1-18-7-5-14-28-24(18)30(21-8-6-13-27-17-21)25(31)20-11-9-19(10-12-20)22-23(33-16-15-32-4)26(2,3)34-29-22/h5,7,9-12,14,21,23,27H,6,8,13,15-17H2,1-4H3/t21-,23?/m1/s1
InChIKeyGIGHNFXNYFWULD-FKHAVUOCSA-N
MW466.58 g/mol
LogP3.33
Rot. Bonds8

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

4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934014) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934014
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCCOC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C26H34N4O4/c1-18-7-5-14-28-24(18)30(21-8-6-13-27-17-21)25(31)20-11-9-19(10-12-20)22-23(33-16-15-32-4)26(2,3)34-29-22/h5,7,9-12,14,21,23,27H,6,8,13,15-17H2,1-4H3/t21-,23?/m1/s1
InChIKeyGIGHNFXNYFWULD-FKHAVUOCSA-N
XLogP3.33
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140934014) is 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is COCCOC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.
What is the InChIKey of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is GIGHNFXNYFWULD-FKHAVUOCSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18-7-5-14-28-24(18)30(21-8-6-13-27-17-21)25(31)20-11-9-19(10-12-20)22-23(33-16-15-32-4)26(2,3)34-29-22/h5,7,9-12,14,21,23,27H,6,8,13,15-17H2,1-4H3/t21-,23?/m1/s1.
What are the key properties of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 466.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).