(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid

C15H14N2O5 — CID 129466190

IUPAC(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CCO1
InChIInChI=1S/C15H14N2O5/c18-14(17-6-7-21-13(9-17)15(19)20)11-8-12(22-16-11)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyHLGQVDVBOQOBGA-ZDUSSCGKSA-N
MW302.29 g/mol
LogP1.27
Rot. Bonds3

About (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 129466190) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID129466190
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CCO1
InChIInChI=1S/C15H14N2O5/c18-14(17-6-7-21-13(9-17)15(19)20)11-8-12(22-16-11)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyHLGQVDVBOQOBGA-ZDUSSCGKSA-N
XLogP1.27
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
[2-(3-chlorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110356637
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid (CID 129466190) is (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CCO1.
What is the InChIKey of (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is HLGQVDVBOQOBGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-14(17-6-7-21-13(9-17)15(19)20)11-8-12(22-16-11)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129466190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).