(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid

C16H15ClN2O5 — CID 120536293

IUPAC(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC(C(=O)O)O1
InChIInChI=1S/C16H15ClN2O5/c1-9-7-19(8-14(23-9)16(21)22)15(20)12-6-13(24-18-12)10-3-2-4-11(17)5-10/h2-6,9,14H,7-8H2,1H3,(H,21,22)/t9-,14?/m1/s1
InChIKeyVEVUVVHFSVDCDW-UCWRFOARSA-N
MW350.76 g/mol
LogP2.31
Rot. Bonds3

About (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536293) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536293
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC(C(=O)O)O1
InChIInChI=1S/C16H15ClN2O5/c1-9-7-19(8-14(23-9)16(21)22)15(20)12-6-13(24-18-12)10-3-2-4-11(17)5-10/h2-6,9,14H,7-8H2,1H3,(H,21,22)/t9-,14?/m1/s1
InChIKeyVEVUVVHFSVDCDW-UCWRFOARSA-N
XLogP2.31
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536281
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110888423
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110888415
(5-chloro-2-fluorophenyl)-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone
CID 55724441
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 37338263

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid (CID 120536293) is (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid is C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC(C(=O)O)O1.
What is the InChIKey of (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is VEVUVVHFSVDCDW-UCWRFOARSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-9-7-19(8-14(23-9)16(21)22)15(20)12-6-13(24-18-12)10-3-2-4-11(17)5-10/h2-6,9,14H,7-8H2,1H3,(H,21,22)/t9-,14?/m1/s1.
What are the key properties of (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 350.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).