2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine

C9H14N2O — CID 84652464

IUPAC2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
SMILESCCc1nc2c(o1)CC(N)CC2
InChIInChI=1S/C9H14N2O/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h6H,2-5,10H2,1H3
InChIKeyUCIKQDDUHYWCNH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.05
Rot. Bonds1

About 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine

2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine (PubChem CID 84652464) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
PubChem CID84652464
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
SMILESCCc1nc2c(o1)CC(N)CC2
InChIInChI=1S/C9H14N2O/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h6H,2-5,10H2,1H3
InChIKeyUCIKQDDUHYWCNH-UHFFFAOYSA-N
XLogP1.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine (CID 84652464) is 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine is CCc1nc2c(o1)CC(N)CC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The InChIKey is UCIKQDDUHYWCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h6H,2-5,10H2,1H3.
What are the key properties of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine has a molecular weight of 166.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine is sourced from PubChem (CID 84652464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).