4,5-dihydro-1,2-oxazole;1,3-xylene

C11H15NO — CID 66586343

IUPAC4,5-dihydro-1,2-oxazole;1,3-xylene
SMILESC1=NOCC1.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C3H5NO/c1-7-4-3-5-8(2)6-7;1-2-4-5-3-1/h3-6H,1-2H3;2H,1,3H2
InChIKeyBPKZNVKOUVZOTM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds

About 4,5-dihydro-1,2-oxazole;1,3-xylene

4,5-dihydro-1,2-oxazole;1,3-xylene (PubChem CID 66586343) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole;1,3-xylene.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole;1,3-xylene
PubChem CID66586343
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4,5-dihydro-1,2-oxazole;1,3-xylene
SMILESC1=NOCC1.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C3H5NO/c1-7-4-3-5-8(2)6-7;1-2-4-5-3-1/h3-6H,1-2H3;2H,1,3H2
InChIKeyBPKZNVKOUVZOTM-UHFFFAOYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole;1,3-xylene?
The IUPAC name of 4,5-dihydro-1,2-oxazole;1,3-xylene (CID 66586343) is 4,5-dihydro-1,2-oxazole;1,3-xylene.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole;1,3-xylene?
The canonical SMILES for 4,5-dihydro-1,2-oxazole;1,3-xylene is C1=NOCC1.Cc1cccc(C)c1.
What is the InChIKey of 4,5-dihydro-1,2-oxazole;1,3-xylene?
The InChIKey is BPKZNVKOUVZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H5NO/c1-7-4-3-5-8(2)6-7;1-2-4-5-3-1/h3-6H,1-2H3;2H,1,3H2.
What are the key properties of 4,5-dihydro-1,2-oxazole;1,3-xylene?
4,5-dihydro-1,2-oxazole;1,3-xylene has a molecular weight of 177.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole;1,3-xylene is sourced from PubChem (CID 66586343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).