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

C7H17NO — CID 90953870

IUPAC4,5-dihydro-1,3-oxazole;ethane
SMILESC1=NCCO1.CC.CC
InChIInChI=1S/C3H5NO.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3
InChIKeySESFVWKILUQGFW-UHFFFAOYSA-N
MW131.22 g/mol
LogP2.10
Rot. Bonds

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

4,5-dihydro-1,3-oxazole;ethane (PubChem CID 90953870) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;ethane
PubChem CID90953870
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4,5-dihydro-1,3-oxazole;ethane
SMILESC1=NCCO1.CC.CC
InChIInChI=1S/C3H5NO.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3
InChIKeySESFVWKILUQGFW-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;ethane?
The IUPAC name of 4,5-dihydro-1,3-oxazole;ethane (CID 90953870) is 4,5-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;ethane is C1=NCCO1.CC.CC.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;ethane?
The InChIKey is SESFVWKILUQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3.
What are the key properties of 4,5-dihydro-1,3-oxazole;ethane?
4,5-dihydro-1,3-oxazole;ethane has a molecular weight of 131.22 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 90953870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).