5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine

C11H14N2O — CID 170202374

IUPAC5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCCc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-10-9(7-8)12-11(14-10)13(2)3/h5-7H,4H2,1-3H3
InChIKeyRIEWWKMCWPFZKK-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.46
Rot. Bonds2

About 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine

5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine (PubChem CID 170202374) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
PubChem CID170202374
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCCc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-10-9(7-8)12-11(14-10)13(2)3/h5-7H,4H2,1-3H3
InChIKeyRIEWWKMCWPFZKK-UHFFFAOYSA-N
XLogP2.46
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine (CID 170202374) is 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine is CCc1ccc2oc(N(C)C)nc2c1.
What is the InChIKey of 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine?
The InChIKey is RIEWWKMCWPFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-8-5-6-10-9(7-8)12-11(14-10)13(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine?
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170202374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).