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

C17H21N3O4 — CID 22427450

IUPAC5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H21N3O4/c21-14-4-1-3-13(11-14)16-12-15(19-24-16)17(22)18-5-2-6-20-7-9-23-10-8-20/h1,3-4,11-12,21H,2,5-10H2,(H,18,22)
InChIKeyMSBLBAKADLJWQI-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.50
Rot. Bonds6

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

5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 22427450) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID22427450
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H21N3O4/c21-14-4-1-3-13(11-14)16-12-15(19-24-16)17(22)18-5-2-6-20-7-9-23-10-8-20/h1,3-4,11-12,21H,2,5-10H2,(H,18,22)
InChIKeyMSBLBAKADLJWQI-UHFFFAOYSA-N
XLogP1.50
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
CID 17253008
4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427390
3-[3-(Azepane-1-carbonyl)-1,2-oxazol-5-YL]phenol
CID 22427453

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 22427450) is 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MSBLBAKADLJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-14-4-1-3-13(11-14)16-12-15(19-24-16)17(22)18-5-2-6-20-7-9-23-10-8-20/h1,3-4,11-12,21H,2,5-10H2,(H,18,22).
What are the key properties of 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 22427450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).