1,3-dioxolane;1,2-oxazole;1,3-oxazole

C9H12N2O4 — CID 159463833

IUPAC1,3-dioxolane;1,2-oxazole;1,3-oxazole
SMILESC1COCO1.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H;1-3H2
InChIKeyLUXUBICPWYDFNP-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.34
Rot. Bonds

About 1,3-dioxolane;1,2-oxazole;1,3-oxazole

1,3-dioxolane;1,2-oxazole;1,3-oxazole (PubChem CID 159463833) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,3-dioxolane;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name1,3-dioxolane;1,2-oxazole;1,3-oxazole
PubChem CID159463833
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name1,3-dioxolane;1,2-oxazole;1,3-oxazole
SMILESC1COCO1.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H;1-3H2
InChIKeyLUXUBICPWYDFNP-UHFFFAOYSA-N
XLogP1.34
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dioxolane;1,2-oxazole;1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;1,2-oxazole;1,3-oxazole?
The IUPAC name of 1,3-dioxolane;1,2-oxazole;1,3-oxazole (CID 159463833) is 1,3-dioxolane;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 1,3-dioxolane;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 1,3-dioxolane;1,2-oxazole;1,3-oxazole is C1COCO1.c1cnoc1.c1cocn1.
What is the InChIKey of 1,3-dioxolane;1,2-oxazole;1,3-oxazole?
The InChIKey is LUXUBICPWYDFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H;1-3H2.
What are the key properties of 1,3-dioxolane;1,2-oxazole;1,3-oxazole?
1,3-dioxolane;1,2-oxazole;1,3-oxazole has a molecular weight of 212.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 159463833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).