2,5-dimethyl-5H-1,2-oxazole

C5H9NO — CID 18779438

IUPAC2,5-dimethyl-5H-1,2-oxazole
SMILESCC1C=CN(C)O1
InChIInChI=1S/C5H9NO/c1-5-3-4-6(2)7-5/h3-5H,1-2H3
InChIKeyRYVCSRSLTHANHZ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds

About 2,5-dimethyl-5H-1,2-oxazole

2,5-dimethyl-5H-1,2-oxazole (PubChem CID 18779438) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2,5-dimethyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-5H-1,2-oxazole
PubChem CID18779438
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2,5-dimethyl-5H-1,2-oxazole
SMILESCC1C=CN(C)O1
InChIInChI=1S/C5H9NO/c1-5-3-4-6(2)7-5/h3-5H,1-2H3
InChIKeyRYVCSRSLTHANHZ-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 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 ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5H-1,2-oxazole?
The IUPAC name of 2,5-dimethyl-5H-1,2-oxazole (CID 18779438) is 2,5-dimethyl-5H-1,2-oxazole.
What is the SMILES notation for 2,5-dimethyl-5H-1,2-oxazole?
The canonical SMILES for 2,5-dimethyl-5H-1,2-oxazole is CC1C=CN(C)O1.
What is the InChIKey of 2,5-dimethyl-5H-1,2-oxazole?
The InChIKey is RYVCSRSLTHANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5-3-4-6(2)7-5/h3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-5H-1,2-oxazole?
2,5-dimethyl-5H-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5H-1,2-oxazole is sourced from PubChem (CID 18779438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).