4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole

C9H11N3O3 — CID 21187265

IUPAC4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
SMILESC1=NCCO1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H5NO.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h3H,1-2H2;2*1-3H
InChIKeyBZZWOMCWCOYDJP-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.39
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole

4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole (PubChem CID 21187265) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
PubChem CID21187265
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
SMILESC1=NCCO1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H5NO.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h3H,1-2H2;2*1-3H
InChIKeyBZZWOMCWCOYDJP-UHFFFAOYSA-N
XLogP1.39
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The IUPAC name of 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole (CID 21187265) is 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole is C1=NCCO1.c1cnoc1.c1cocn1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The InChIKey is BZZWOMCWCOYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h3H,1-2H2;2*1-3H.
What are the key properties of 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole has a molecular weight of 209.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 21187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).