2-methyl-1,3-oxazole

C4H5NO — CID 12547675

IUPAC2-methyl-1,3-oxazole
SMILESCc1ncco1
InChIInChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKeyZCHCHJQEWYIJDQ-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.98
Rot. Bonds

About 2-methyl-1,3-oxazole

2-methyl-1,3-oxazole (PubChem CID 12547675) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-1,3-oxazole
PubChem CID12547675
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name2-methyl-1,3-oxazole
SMILESCc1ncco1
InChIInChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKeyZCHCHJQEWYIJDQ-UHFFFAOYSA-N
XLogP0.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole?
The IUPAC name of 2-methyl-1,3-oxazole (CID 12547675) is 2-methyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-1,3-oxazole?
The canonical SMILES for 2-methyl-1,3-oxazole is Cc1ncco1.
What is the InChIKey of 2-methyl-1,3-oxazole?
The InChIKey is ZCHCHJQEWYIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3.
What are the key properties of 2-methyl-1,3-oxazole?
2-methyl-1,3-oxazole has a molecular weight of 83.09 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole is sourced from PubChem (CID 12547675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).