1,3-oxazole

C3H3NO — CID 9255

IUPAC1,3-oxazole
SMILESc1cocn1
InChIInChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChIKeyZCQWOFVYLHDMMC-UHFFFAOYSA-N
MW69.06 g/mol
LogP0.67
Rot. Bonds

About 1,3-oxazole

1,3-oxazole (PubChem CID 9255) has the molecular formula C3H3NO and a molecular weight of 69.06 g/mol. Its IUPAC name is 1,3-oxazole.

Molecular Properties

Compound Name1,3-oxazole
PubChem CID9255
Molecular FormulaC3H3NO
Molecular Weight69.06 g/mol
Exact Mass69.02
IUPAC Name1,3-oxazole
SMILESc1cocn1
InChIInChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChIKeyZCQWOFVYLHDMMC-UHFFFAOYSA-N
XLogP0.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.06
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole?
The IUPAC name of 1,3-oxazole (CID 9255) is 1,3-oxazole.
What is the SMILES notation for 1,3-oxazole?
The canonical SMILES for 1,3-oxazole is c1cocn1.
What is the InChIKey of 1,3-oxazole?
The InChIKey is ZCQWOFVYLHDMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H.
What are the key properties of 1,3-oxazole?
1,3-oxazole has a molecular weight of 69.06 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole is sourced from PubChem (CID 9255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).