ethane;1,2-oxazole

C5H9NO — CID 20528083

IUPACethane;1,2-oxazole
SMILESCC.c1cnoc1
InChIInChI=1S/C3H3NO.C2H6/c1-2-4-5-3-1;1-2/h1-3H;1-2H3
InChIKeyIHXQTMMRRNPQNI-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.70
Rot. Bonds

About ethane;1,2-oxazole

ethane;1,2-oxazole (PubChem CID 20528083) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is ethane;1,2-oxazole.

Molecular Properties

Compound Nameethane;1,2-oxazole
PubChem CID20528083
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Nameethane;1,2-oxazole
SMILESCC.c1cnoc1
InChIInChI=1S/C3H3NO.C2H6/c1-2-4-5-3-1;1-2/h1-3H;1-2H3
InChIKeyIHXQTMMRRNPQNI-UHFFFAOYSA-N
XLogP1.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2-oxazole?
The IUPAC name of ethane;1,2-oxazole (CID 20528083) is ethane;1,2-oxazole.
What is the SMILES notation for ethane;1,2-oxazole?
The canonical SMILES for ethane;1,2-oxazole is CC.c1cnoc1.
What is the InChIKey of ethane;1,2-oxazole?
The InChIKey is IHXQTMMRRNPQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2H6/c1-2-4-5-3-1;1-2/h1-3H;1-2H3.
What are the key properties of ethane;1,2-oxazole?
ethane;1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2-oxazole is sourced from PubChem (CID 20528083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).