N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide

C17H23N3O3 — CID 16878943

IUPACN-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCCCN(C)C)no2)c1
InChIInChI=1S/C17H23N3O3/c1-20(2)9-5-8-18-17(21)12-14-11-16(23-19-14)13-6-4-7-15(10-13)22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21)
InChIKeyCYZHLOSLMMULSD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.96
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 16878943) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID16878943
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCCCN(C)C)no2)c1
InChIInChI=1S/C17H23N3O3/c1-20(2)9-5-8-18-17(21)12-14-11-16(23-19-14)13-6-4-7-15(10-13)22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21)
InChIKeyCYZHLOSLMMULSD-UHFFFAOYSA-N
XLogP1.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110316742
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (CID 16878943) is N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is COc1cccc(-c2cc(CC(=O)NCCCN(C)C)no2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is CYZHLOSLMMULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-20(2)9-5-8-18-17(21)12-14-11-16(23-19-14)13-6-4-7-15(10-13)22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 16878943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).