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

C25H25N3O3 — CID 42498875

IUPACN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C[C@@H](C)c3ccccc3)no2)c2cccnc12
InChIInChI=1S/C25H25N3O3/c1-17(18-8-5-4-6-9-18)14-20-15-23(31-27-20)25(29)28(2)16-19-11-12-22(30-3)24-21(19)10-7-13-26-24/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1
InChIKeyOZUWBWCGFUGLHB-QGZVFWFLSA-N
MW415.49 g/mol
LogP4.85
Rot. Bonds7

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

N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide (PubChem CID 42498875) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
PubChem CID42498875
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C[C@@H](C)c3ccccc3)no2)c2cccnc12
InChIInChI=1S/C25H25N3O3/c1-17(18-8-5-4-6-9-18)14-20-15-23(31-27-20)25(29)28(2)16-19-11-12-22(30-3)24-21(19)10-7-13-26-24/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1
InChIKeyOZUWBWCGFUGLHB-QGZVFWFLSA-N
XLogP4.85
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 42472241
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 70768734
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74242827
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 119058607
2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
CID 72881160

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide (CID 42498875) is N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2cc(C[C@@H](C)c3ccccc3)no2)c2cccnc12.
What is the InChIKey of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OZUWBWCGFUGLHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(18-8-5-4-6-9-18)14-20-15-23(31-27-20)25(29)28(2)16-19-11-12-22(30-3)24-21(19)10-7-13-26-24/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42498875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).