2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid

C15H15FN2O3 — CID 64618913

IUPAC2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H15FN2O3/c16-12-3-1-11(2-4-12)15-17-13(9-21-15)8-18-6-10(7-18)5-14(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyLPVCTECGTURCKG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid

2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid (PubChem CID 64618913) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
PubChem CID64618913
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H15FN2O3/c16-12-3-1-11(2-4-12)15-17-13(9-21-15)8-18-6-10(7-18)5-14(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyLPVCTECGTURCKG-UHFFFAOYSA-N
XLogP2.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 86923626
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid (CID 64618913) is 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The InChIKey is LPVCTECGTURCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-3-1-11(2-4-12)15-17-13(9-21-15)8-18-6-10(7-18)5-14(19)20/h1-4,9-10H,5-8H2,(H,19,20).
What are the key properties of 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid?
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).