2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid

C18H20N2O5 — CID 119247740

IUPAC2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ncc(-c3ccccc3)o2)CCO1
InChIInChI=1S/C18H20N2O5/c21-17(20-8-9-24-14(12-20)10-18(22)23)7-6-16-19-11-15(25-16)13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H,22,23)
InChIKeyZSSIRJAGBCRQDC-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.98
Rot. Bonds6

About 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119247740) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119247740
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ncc(-c3ccccc3)o2)CCO1
InChIInChI=1S/C18H20N2O5/c21-17(20-8-9-24-14(12-20)10-18(22)23)7-6-16-19-11-15(25-16)13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H,22,23)
InChIKeyZSSIRJAGBCRQDC-UHFFFAOYSA-N
XLogP1.98
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124704911
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196
2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178434
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid (CID 119247740) is 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2ncc(-c3ccccc3)o2)CCO1.
What is the InChIKey of 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is ZSSIRJAGBCRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-17(20-8-9-24-14(12-20)10-18(22)23)7-6-16-19-11-15(25-16)13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H,22,23).
What are the key properties of 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).