N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C17H21N3O4 — CID 56754888

IUPACN-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1O
InChIInChI=1S/C17H21N3O4/c1-12(14-4-2-3-5-16(14)21)18-17(22)15-10-13(24-19-15)11-20-6-8-23-9-7-20/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22)
InChIKeyMEJVHBNCFXDUIJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.70
Rot. Bonds5

About N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56754888) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID56754888
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1O
InChIInChI=1S/C17H21N3O4/c1-12(14-4-2-3-5-16(14)21)18-17(22)15-10-13(24-19-15)11-20-6-8-23-9-7-20/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22)
InChIKeyMEJVHBNCFXDUIJ-UHFFFAOYSA-N
XLogP1.70
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56739715
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95198420
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56745348
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56715974
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56747995
N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95201117
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-[(2S)-4-methyl-1-[[(2R)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phosphanylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 89362208
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 56716703

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 56754888) is N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MEJVHBNCFXDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(14-4-2-3-5-16(14)21)18-17(22)15-10-13(24-19-15)11-20-6-8-23-9-7-20/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22).
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56754888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).