5H-cyclohepta[d][1,2]oxazole;ethane

C10H13NO — CID 142873810

IUPAC5H-cyclohepta[d][1,2]oxazole;ethane
SMILESC1=CCC=c2cnoc2=C1.CC
InChIInChI=1S/C8H7NO.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h1,3-6H,2H2;1-2H3
InChIKeyZSOSYVQVFHULRV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.22
Rot. Bonds

About 5H-cyclohepta[d][1,2]oxazole;ethane

5H-cyclohepta[d][1,2]oxazole;ethane (PubChem CID 142873810) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5H-cyclohepta[d][1,2]oxazole;ethane.

Molecular Properties

Compound Name5H-cyclohepta[d][1,2]oxazole;ethane
PubChem CID142873810
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5H-cyclohepta[d][1,2]oxazole;ethane
SMILESC1=CCC=c2cnoc2=C1.CC
InChIInChI=1S/C8H7NO.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h1,3-6H,2H2;1-2H3
InChIKeyZSOSYVQVFHULRV-UHFFFAOYSA-N
XLogP1.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[d][1,2]oxazole;ethane?
The IUPAC name of 5H-cyclohepta[d][1,2]oxazole;ethane (CID 142873810) is 5H-cyclohepta[d][1,2]oxazole;ethane.
What is the SMILES notation for 5H-cyclohepta[d][1,2]oxazole;ethane?
The canonical SMILES for 5H-cyclohepta[d][1,2]oxazole;ethane is C1=CCC=c2cnoc2=C1.CC.
What is the InChIKey of 5H-cyclohepta[d][1,2]oxazole;ethane?
The InChIKey is ZSOSYVQVFHULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h1,3-6H,2H2;1-2H3.
What are the key properties of 5H-cyclohepta[d][1,2]oxazole;ethane?
5H-cyclohepta[d][1,2]oxazole;ethane has a molecular weight of 163.22 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[d][1,2]oxazole;ethane is sourced from PubChem (CID 142873810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).