3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C17H20N2O5 — CID 122274788

IUPAC3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C17H20N2O5/c1-11(2)24-14-5-3-13(4-6-14)16(21)18-7-12(8-18)9-19-15(20)10-23-17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMEWIRBPXIFYEPC-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.52
Rot. Bonds5

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

3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274788) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274788
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C17H20N2O5/c1-11(2)24-14-5-3-13(4-6-14)16(21)18-7-12(8-18)9-19-15(20)10-23-17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMEWIRBPXIFYEPC-UHFFFAOYSA-N
XLogP1.52
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274788) is 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is CC(C)Oc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1.
What is the InChIKey of 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MEWIRBPXIFYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11(2)24-14-5-3-13(4-6-14)16(21)18-7-12(8-18)9-19-15(20)10-23-17(19)22/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).