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

C16H15ClN2O5 — CID 125119510

IUPAC(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O5/c17-11-3-1-10(2-4-11)15-18-12(8-24-15)7-14(20)19-5-6-23-9-13(19)16(21)22/h1-4,8,13H,5-7,9H2,(H,21,22)/t13-/m1/s1
InChIKeyXECINEHKUPEPPE-CYBMUJFWSA-N
MW350.76 g/mol
LogP1.85
Rot. Bonds4

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

(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid (PubChem CID 125119510) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
PubChem CID125119510
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O5/c17-11-3-1-10(2-4-11)15-18-12(8-24-15)7-14(20)19-5-6-23-9-13(19)16(21)22/h1-4,8,13H,5-7,9H2,(H,21,22)/t13-/m1/s1
InChIKeyXECINEHKUPEPPE-CYBMUJFWSA-N
XLogP1.85
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216735
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 124702286
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
3-[(2S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124699674
4-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]morpholine-3-carboxylic acid
CID 119216540
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 167852418
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124697594
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid (CID 125119510) is (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The InChIKey is XECINEHKUPEPPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c17-11-3-1-10(2-4-11)15-18-12(8-24-15)7-14(20)19-5-6-23-9-13(19)16(21)22/h1-4,8,13H,5-7,9H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid has a molecular weight of 350.76 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).