N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C18H23N3O4 — CID 56747995

IUPACN-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C18H23N3O4/c22-15(10-14-4-2-1-3-5-14)12-19-18(23)17-11-16(25-20-17)13-21-6-8-24-9-7-21/h1-5,11,15,22H,6-10,12-13H2,(H,19,23)
InChIKeyZCXIYSWLCUGFAZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.84
Rot. Bonds7

About N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56747995) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID56747995
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C18H23N3O4/c22-15(10-14-4-2-1-3-5-14)12-19-18(23)17-11-16(25-20-17)13-21-6-8-24-9-7-21/h1-5,11,15,22H,6-10,12-13H2,(H,19,23)
InChIKeyZCXIYSWLCUGFAZ-UHFFFAOYSA-N
XLogP0.84
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
benzyl (2S)-2-[[(2S)-2-[[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]amino]-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 118673067
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56754888
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
N-[2-(1H-indol-3-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341518
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 59217732
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
N-[1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 130371024

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 56747995) is N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC(O)Cc1ccccc1)c1cc(CN2CCOCC2)on1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZCXIYSWLCUGFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-15(10-14-4-2-1-3-5-14)12-19-18(23)17-11-16(25-20-17)13-21-6-8-24-9-7-21/h1-5,11,15,22H,6-10,12-13H2,(H,19,23).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56747995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).