2-benzyl-1,3-oxazole

C10H9NO — CID 5323667

IUPAC2-benzyl-1,3-oxazole
SMILESc1ccc(Cc2ncco2)cc1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2
InChIKeyCUYUPLKTWHWPQY-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.27
Rot. Bonds2

About 2-benzyl-1,3-oxazole

2-benzyl-1,3-oxazole (PubChem CID 5323667) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-benzyl-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-1,3-oxazole
PubChem CID5323667
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-benzyl-1,3-oxazole
SMILESc1ccc(Cc2ncco2)cc1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2
InChIKeyCUYUPLKTWHWPQY-UHFFFAOYSA-N
XLogP2.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-oxazole?
The IUPAC name of 2-benzyl-1,3-oxazole (CID 5323667) is 2-benzyl-1,3-oxazole.
What is the SMILES notation for 2-benzyl-1,3-oxazole?
The canonical SMILES for 2-benzyl-1,3-oxazole is c1ccc(Cc2ncco2)cc1.
What is the InChIKey of 2-benzyl-1,3-oxazole?
The InChIKey is CUYUPLKTWHWPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2.
What are the key properties of 2-benzyl-1,3-oxazole?
2-benzyl-1,3-oxazole has a molecular weight of 159.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-oxazole is sourced from PubChem (CID 5323667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).