N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H28N4O4 — CID 92611211

IUPACN-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)no1
InChIInChI=1S/C23H28N4O4/c1-29-12-10-24-23(28)21-13-19(26-31-21)17-6-4-11-27(14-17)15-18-9-8-16-5-3-7-20(30-2)22(16)25-18/h3,5,7-9,13,17H,4,6,10-12,14-15H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyRWOOXNZGDYCWCV-QGZVFWFLSA-N
MW424.50 g/mol
LogP2.99
Rot. Bonds8

About N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92611211) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92611211
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)no1
InChIInChI=1S/C23H28N4O4/c1-29-12-10-24-23(28)21-13-19(26-31-21)17-6-4-11-27(14-17)15-18-9-8-16-5-3-7-20(30-2)22(16)25-18/h3,5,7-9,13,17H,4,6,10-12,14-15H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyRWOOXNZGDYCWCV-QGZVFWFLSA-N
XLogP2.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92601009
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232
3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229070
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
N-[(4-methoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596082
N-[(4-methoxyphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228971
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92611211) is N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is RWOOXNZGDYCWCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-29-12-10-24-23(28)21-13-19(26-31-21)17-6-4-11-27(14-17)15-18-9-8-16-5-3-7-20(30-2)22(16)25-18/h3,5,7-9,13,17H,4,6,10-12,14-15H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92611211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).