2-butyl-5-(furan-2-yl)-1,3-benzoxazole

C15H15NO2 — CID 168526990

IUPAC2-butyl-5-(furan-2-yl)-1,3-benzoxazole
SMILESCCCCc1nc2cc(-c3ccco3)ccc2o1
InChIInChI=1S/C15H15NO2/c1-2-3-6-15-16-12-10-11(7-8-14(12)18-15)13-5-4-9-17-13/h4-5,7-10H,2-3,6H2,1H3
InChIKeySALRLJTZOVMMOW-UHFFFAOYSA-N
MW241.29 g/mol
LogP4.43
Rot. Bonds4

About 2-butyl-5-(furan-2-yl)-1,3-benzoxazole

2-butyl-5-(furan-2-yl)-1,3-benzoxazole (PubChem CID 168526990) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-butyl-5-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-butyl-5-(furan-2-yl)-1,3-benzoxazole
PubChem CID168526990
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-butyl-5-(furan-2-yl)-1,3-benzoxazole
SMILESCCCCc1nc2cc(-c3ccco3)ccc2o1
InChIInChI=1S/C15H15NO2/c1-2-3-6-15-16-12-10-11(7-8-14(12)18-15)13-5-4-9-17-13/h4-5,7-10H,2-3,6H2,1H3
InChIKeySALRLJTZOVMMOW-UHFFFAOYSA-N
XLogP4.43
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-butyl-5-(furan-2-yl)-1,3-benzoxazole (CID 168526990) is 2-butyl-5-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-butyl-5-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-butyl-5-(furan-2-yl)-1,3-benzoxazole is CCCCc1nc2cc(-c3ccco3)ccc2o1.
What is the InChIKey of 2-butyl-5-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is SALRLJTZOVMMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-3-6-15-16-12-10-11(7-8-14(12)18-15)13-5-4-9-17-13/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 2-butyl-5-(furan-2-yl)-1,3-benzoxazole?
2-butyl-5-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 241.29 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 168526990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).