4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid

C16H16N2O5 — CID 119216474

IUPAC4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H16N2O5/c19-14(18-6-7-22-10-13(18)16(20)21)8-12-9-23-15(17-12)11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,20,21)
InChIKeyAARFMWQPYZEJBF-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.20
Rot. Bonds4

About 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 119216474) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID119216474
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H16N2O5/c19-14(18-6-7-22-10-13(18)16(20)21)8-12-9-23-15(17-12)11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,20,21)
InChIKeyAARFMWQPYZEJBF-UHFFFAOYSA-N
XLogP1.20
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216735
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
2-[(2S)-1-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-2-yl]acetamide
CID 95160386
4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
CID 126772920
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 134061367
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133070

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid (CID 119216474) is 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is AARFMWQPYZEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-14(18-6-7-22-10-13(18)16(20)21)8-12-9-23-15(17-12)11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,20,21).
What are the key properties of 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).