3H-1,3-oxazol-2-one;oxolane

C7H11NO3 — CID 70416844

IUPAC3H-1,3-oxazol-2-one;oxolane
SMILESC1CCOC1.O=c1[nH]cco1
InChIInChI=1S/C4H8O.C3H3NO2/c1-2-4-5-3-1;5-3-4-1-2-6-3/h1-4H2;1-2H,(H,4,5)
InChIKeyGJULUMXXAZEJGB-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds

About 3H-1,3-oxazol-2-one;oxolane

3H-1,3-oxazol-2-one;oxolane (PubChem CID 70416844) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3H-1,3-oxazol-2-one;oxolane.

Molecular Properties

Compound Name3H-1,3-oxazol-2-one;oxolane
PubChem CID70416844
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3H-1,3-oxazol-2-one;oxolane
SMILESC1CCOC1.O=c1[nH]cco1
InChIInChI=1S/C4H8O.C3H3NO2/c1-2-4-5-3-1;5-3-4-1-2-6-3/h1-4H2;1-2H,(H,4,5)
InChIKeyGJULUMXXAZEJGB-UHFFFAOYSA-N
XLogP0.76
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl chloride;3H-1,3-oxazol-2-one
CID 88524291
oxolane;1H-pyrimidin-2-one
CID 174461549
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
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1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
oxacyclohexadecan-8-one
CID 168890521
formaldehyde;oxolane
CID 174849713
cyclononane;cyclononanone;methane;oxolane
CID 158546571
oxane;1,4-xylene
CID 66995829
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709

Frequently Asked Questions

What is the IUPAC name of 3H-1,3-oxazol-2-one;oxolane?
The IUPAC name of 3H-1,3-oxazol-2-one;oxolane (CID 70416844) is 3H-1,3-oxazol-2-one;oxolane.
What is the SMILES notation for 3H-1,3-oxazol-2-one;oxolane?
The canonical SMILES for 3H-1,3-oxazol-2-one;oxolane is C1CCOC1.O=c1[nH]cco1.
What is the InChIKey of 3H-1,3-oxazol-2-one;oxolane?
The InChIKey is GJULUMXXAZEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H3NO2/c1-2-4-5-3-1;5-3-4-1-2-6-3/h1-4H2;1-2H,(H,4,5).
What are the key properties of 3H-1,3-oxazol-2-one;oxolane?
3H-1,3-oxazol-2-one;oxolane has a molecular weight of 157.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,3-oxazol-2-one;oxolane is sourced from PubChem (CID 70416844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).