5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

C18H23N3O4 — CID 17252860

IUPAC5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)c1
InChIInChI=1S/C18H23N3O4/c1-23-15-5-2-4-14(12-15)17-13-16(20-25-17)18(22)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,22)
InChIKeyZFZRXYXYADBVPY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.80
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252860) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID17252860
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)c1
InChIInChI=1S/C18H23N3O4/c1-23-15-5-2-4-14(12-15)17-13-16(20-25-17)18(22)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,22)
InChIKeyZFZRXYXYADBVPY-UHFFFAOYSA-N
XLogP1.80
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
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
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4010545
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 17252860) is 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZFZRXYXYADBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-15-5-2-4-14(12-15)17-13-16(20-25-17)18(22)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,22).
What are the key properties of 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).