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

C16H15FN2O5 — CID 124704000

IUPAC(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCO1
InChIInChI=1S/C16H15FN2O5/c17-11-3-1-10(2-4-11)15-18-12(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyWLAZNSNJILYOFQ-CYBMUJFWSA-N
MW334.30 g/mol
LogP1.34
Rot. Bonds4

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

(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid (PubChem CID 124704000) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
PubChem CID124704000
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCO1
InChIInChI=1S/C16H15FN2O5/c17-11-3-1-10(2-4-11)15-18-12(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyWLAZNSNJILYOFQ-CYBMUJFWSA-N
XLogP1.34
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124697594
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129379310
4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238965
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 125118691
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 75392995
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid (CID 124704000) is (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCO1.
What is the InChIKey of (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is WLAZNSNJILYOFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15FN2O5/c17-11-3-1-10(2-4-11)15-18-12(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid has a molecular weight of 334.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124704000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).