2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid

C21H21N3O4 — CID 124976748

IUPAC2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
SMILESCc1noc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCO2)n1
InChIInChI=1S/C21H21N3O4/c1-14-22-20(28-23-14)19-13-24(10-11-27-19)12-15-6-8-16(9-7-15)17-4-2-3-5-18(17)21(25)26/h2-9,19H,10-13H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyLHSLYBOYPRSOQA-LJQANCHMSA-N
MW379.42 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid

2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid (PubChem CID 124976748) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
PubChem CID124976748
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
SMILESCc1noc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCO2)n1
InChIInChI=1S/C21H21N3O4/c1-14-22-20(28-23-14)19-13-24(10-11-27-19)12-15-6-8-16(9-7-15)17-4-2-3-5-18(17)21(25)26/h2-9,19H,10-13H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyLHSLYBOYPRSOQA-LJQANCHMSA-N
XLogP3.32
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid with MolForge

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Related Compounds

2-[4-[[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 110097235
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865042
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
2-[4-[[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methyl]phenyl]benzoic acid
CID 110097255
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
CID 75474012
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid (CID 124976748) is 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid is Cc1noc([C@H]2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCO2)n1.
What is the InChIKey of 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid?
The InChIKey is LHSLYBOYPRSOQA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-22-20(28-23-14)19-13-24(10-11-27-19)12-15-6-8-16(9-7-15)17-4-2-3-5-18(17)21(25)26/h2-9,19H,10-13H2,1H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid?
2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid has a molecular weight of 379.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 124976748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).