N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine

C15H16N2O2 — CID 10467596

IUPACN-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCCNc1nc2ccc(CCc3ccco3)cc2o1
InChIInChI=1S/C15H16N2O2/c1-2-16-15-17-13-8-6-11(10-14(13)19-15)5-7-12-4-3-9-18-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17)
InChIKeyPRWYSNYIJGKHDW-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.64
Rot. Bonds5

About N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine

N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 10467596) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine
PubChem CID10467596
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCCNc1nc2ccc(CCc3ccco3)cc2o1
InChIInChI=1S/C15H16N2O2/c1-2-16-15-17-13-8-6-11(10-14(13)19-15)5-7-12-4-3-9-18-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17)
InChIKeyPRWYSNYIJGKHDW-UHFFFAOYSA-N
XLogP3.64
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine (CID 10467596) is N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine is CCNc1nc2ccc(CCc3ccco3)cc2o1.
What is the InChIKey of N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is PRWYSNYIJGKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-16-15-17-13-8-6-11(10-14(13)19-15)5-7-12-4-3-9-18-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17).
What are the key properties of N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine?
N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 256.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(furan-2-yl)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10467596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).