3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C18H20N2O5 — CID 119105365

IUPAC3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccccc1C1(C(=O)N2CC(CN3C(=O)COC3=O)C2)CC1
InChIInChI=1S/C18H20N2O5/c1-24-14-5-3-2-4-13(14)18(6-7-18)16(22)19-8-12(9-19)10-20-15(21)11-25-17(20)23/h2-5,12H,6-11H2,1H3
InChIKeyYJYOEYGMTPMTDM-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.16
Rot. Bonds5

About 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 119105365) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID119105365
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccccc1C1(C(=O)N2CC(CN3C(=O)COC3=O)C2)CC1
InChIInChI=1S/C18H20N2O5/c1-24-14-5-3-2-4-13(14)18(6-7-18)16(22)19-8-12(9-19)10-20-15(21)11-25-17(20)23/h2-5,12H,6-11H2,1H3
InChIKeyYJYOEYGMTPMTDM-UHFFFAOYSA-N
XLogP1.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 119105365) is 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is COc1ccccc1C1(C(=O)N2CC(CN3C(=O)COC3=O)C2)CC1.
What is the InChIKey of 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is YJYOEYGMTPMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-14-5-3-2-4-13(14)18(6-7-18)16(22)19-8-12(9-19)10-20-15(21)11-25-17(20)23/h2-5,12H,6-11H2,1H3.
What are the key properties of 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 119105365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).