4,5-dihydro-1,3-oxazole;ethyl carbamate

C6H12N2O3 — CID 70205962

IUPAC4,5-dihydro-1,3-oxazole;ethyl carbamate
SMILESC1=NCCO1.CCOC(N)=O
InChIInChI=1S/C3H7NO2.C3H5NO/c1-2-6-3(4)5;1-2-5-3-4-1/h2H2,1H3,(H2,4,5);3H,1-2H2
InChIKeyQWHCHFSBFBBSFT-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.15
Rot. Bonds1

About 4,5-dihydro-1,3-oxazole;ethyl carbamate

4,5-dihydro-1,3-oxazole;ethyl carbamate (PubChem CID 70205962) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;ethyl carbamate.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;ethyl carbamate
PubChem CID70205962
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4,5-dihydro-1,3-oxazole;ethyl carbamate
SMILESC1=NCCO1.CCOC(N)=O
InChIInChI=1S/C3H7NO2.C3H5NO/c1-2-6-3(4)5;1-2-5-3-4-1/h2H2,1H3,(H2,4,5);3H,1-2H2
InChIKeyQWHCHFSBFBBSFT-UHFFFAOYSA-N
XLogP0.15
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;ethyl carbamate?
The IUPAC name of 4,5-dihydro-1,3-oxazole;ethyl carbamate (CID 70205962) is 4,5-dihydro-1,3-oxazole;ethyl carbamate.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;ethyl carbamate?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;ethyl carbamate is C1=NCCO1.CCOC(N)=O.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;ethyl carbamate?
The InChIKey is QWHCHFSBFBBSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C3H5NO/c1-2-6-3(4)5;1-2-5-3-4-1/h2H2,1H3,(H2,4,5);3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;ethyl carbamate?
4,5-dihydro-1,3-oxazole;ethyl carbamate has a molecular weight of 160.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;ethyl carbamate is sourced from PubChem (CID 70205962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).