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

C17H21N3O4 — CID 110313759

IUPACN-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCCCNC(C)=O)no2)c1
InChIInChI=1S/C17H21N3O4/c1-12(21)18-7-4-8-19-17(22)11-14-10-16(24-20-14)13-5-3-6-15(9-13)23-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPBJZRUUJKKJHAA-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.54
Rot. Bonds8

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

N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 110313759) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID110313759
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCCCNC(C)=O)no2)c1
InChIInChI=1S/C17H21N3O4/c1-12(21)18-7-4-8-19-17(22)11-14-10-16(24-20-14)13-5-3-6-15(9-13)23-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPBJZRUUJKKJHAA-UHFFFAOYSA-N
XLogP1.54
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619673
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (CID 110313759) is N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is COc1cccc(-c2cc(CC(=O)NCCCNC(C)=O)no2)c1.
What is the InChIKey of N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is PBJZRUUJKKJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(21)18-7-4-8-19-17(22)11-14-10-16(24-20-14)13-5-3-6-15(9-13)23-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 110313759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).