2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid

C18H20N2O5 — CID 129469907

IUPAC2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C18H20N2O5/c1-12-15(19-18(25-12)13-5-3-2-4-6-13)10-16(21)20-7-8-24-11-14(20)9-17(22)23/h2-6,14H,7-11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyNSFOBTVRPLAIGB-CQSZACIVSA-N
MW344.37 g/mol
LogP1.89
Rot. Bonds5

About 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid (PubChem CID 129469907) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
PubChem CID129469907
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C18H20N2O5/c1-12-15(19-18(25-12)13-5-3-2-4-6-13)10-16(21)20-7-8-24-11-14(20)9-17(22)23/h2-6,14H,7-11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyNSFOBTVRPLAIGB-CQSZACIVSA-N
XLogP1.89
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138381218
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 124691943
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid
CID 155940487
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 75468358
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid (CID 129469907) is 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid?
The InChIKey is NSFOBTVRPLAIGB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-15(19-18(25-12)13-5-3-2-4-6-13)10-16(21)20-7-8-24-11-14(20)9-17(22)23/h2-6,14H,7-11H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).