2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine

C15H20N2O2 — CID 65081910

IUPAC2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCOCC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-2-15-17-13-10-12(5-6-14(13)19-15)16-11-4-3-8-18-9-7-11/h5-6,10-11,16H,2-4,7-9H2,1H3
InChIKeyKFJJNNZLLYRIRZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.37
Rot. Bonds3

About 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine

2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine (PubChem CID 65081910) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
PubChem CID65081910
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCOCC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-2-15-17-13-10-12(5-6-14(13)19-15)16-11-4-3-8-18-9-7-11/h5-6,10-11,16H,2-4,7-9H2,1H3
InChIKeyKFJJNNZLLYRIRZ-UHFFFAOYSA-N
XLogP3.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine (CID 65081910) is 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine is CCc1nc2cc(NC3CCCOCC3)ccc2o1.
What is the InChIKey of 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The InChIKey is KFJJNNZLLYRIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-15-17-13-10-12(5-6-14(13)19-15)16-11-4-3-8-18-9-7-11/h5-6,10-11,16H,2-4,7-9H2,1H3.
What are the key properties of 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine has a molecular weight of 260.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 65081910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).