2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid

C13H18N2O4 — CID 116681238

IUPAC2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
SMILESCc1noc(C)c1CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7(13(17)18)10-5-15(6-10)12(16)4-11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyQNOKVIJHAJOBKN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid

2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid (PubChem CID 116681238) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
PubChem CID116681238
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
SMILESCc1noc(C)c1CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7(13(17)18)10-5-15(6-10)12(16)4-11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyQNOKVIJHAJOBKN-UHFFFAOYSA-N
XLogP1.01
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]azetidin-3-yl]propanoic acid
CID 116681430
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680882
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 125004464
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134709988
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid (CID 116681238) is 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid is Cc1noc(C)c1CC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid?
The InChIKey is QNOKVIJHAJOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7(13(17)18)10-5-15(6-10)12(16)4-11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).