(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid

C15H13ClN2O5 — CID 129415634

IUPAC(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1
InChIInChI=1S/C15H13ClN2O5/c16-10-4-2-1-3-9(10)13-12(17-8-23-13)14(19)18-5-6-22-11(7-18)15(20)21/h1-4,8,11H,5-7H2,(H,20,21)/t11-/m1/s1
InChIKeyXLYLRLCGRIFHLC-LLVKDONJSA-N
MW336.73 g/mol
LogP1.92
Rot. Bonds3

About (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 129415634) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID129415634
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1
InChIInChI=1S/C15H13ClN2O5/c16-10-4-2-1-3-9(10)13-12(17-8-23-13)14(19)18-5-6-22-11(7-18)15(20)21/h1-4,8,11H,5-7H2,(H,20,21)/t11-/m1/s1
InChIKeyXLYLRLCGRIFHLC-LLVKDONJSA-N
XLogP1.92
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
CID 124593259
1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 154844847
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704017
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240052
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
CID 111462853
(2S)-4-(3-benzyl-4-oxophthalazine-1-carbonyl)morpholine-2-carboxylic acid
CID 125151520
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid (CID 129415634) is (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1.
What is the InChIKey of (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is XLYLRLCGRIFHLC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c16-10-4-2-1-3-9(10)13-12(17-8-23-13)14(19)18-5-6-22-11(7-18)15(20)21/h1-4,8,11H,5-7H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 336.73 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129415634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).