3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C17H15FN4O4 — CID 122274943

IUPAC3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C17H15FN4O4/c18-12-3-1-11(2-4-12)13-5-14(20-19-13)16(24)21-6-10(7-21)8-22-15(23)9-26-17(22)25/h1-5,10H,6-9H2,(H,19,20)
InChIKeyOTWVFNFSSAGMRA-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.27
Rot. Bonds4

About 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274943) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274943
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C17H15FN4O4/c18-12-3-1-11(2-4-12)13-5-14(20-19-13)16(24)21-6-10(7-21)8-22-15(23)9-26-17(22)25/h1-5,10H,6-9H2,(H,19,20)
InChIKeyOTWVFNFSSAGMRA-UHFFFAOYSA-N
XLogP1.27
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119483328
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 122274753
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274964
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 91919425
4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155625
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105352
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672014
(5-bromofuran-2-yl)-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910900
3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274788

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274943) is 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is OTWVFNFSSAGMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c18-12-3-1-11(2-4-12)13-5-14(20-19-13)16(24)21-6-10(7-21)8-22-15(23)9-26-17(22)25/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 358.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).