3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C16H15N3O6 — CID 122274806

IUPAC3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C16H15N3O6/c20-13(8-18-11-3-1-2-4-12(11)25-16(18)23)17-5-10(6-17)7-19-14(21)9-24-15(19)22/h1-4,10H,5-9H2
InChIKeyMIKRLPCCVYMRTB-UHFFFAOYSA-N
MW345.31 g/mol
LogP0.03
Rot. Bonds4

About 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274806) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274806
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C16H15N3O6/c20-13(8-18-11-3-1-2-4-12(11)25-16(18)23)17-5-10(6-17)7-19-14(21)9-24-15(19)22/h1-4,10H,5-9H2
InChIKeyMIKRLPCCVYMRTB-UHFFFAOYSA-N
XLogP0.03
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727385
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
3-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 125023822
3-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 42898182
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 97106602
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one
CID 146080679
3-[2-oxo-2-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 95985359

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274806) is 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(Cn1c(=O)oc2ccccc21)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MIKRLPCCVYMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-13(8-18-11-3-1-2-4-12(11)25-16(18)23)17-5-10(6-17)7-19-14(21)9-24-15(19)22/h1-4,10H,5-9H2.
What are the key properties of 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 345.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).