2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine

C15H12Cl2N2O — CID 91673447

IUPAC2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1cc(N)cc2nc(-c3cc(Cl)ccc3Cl)oc12
InChIInChI=1S/C15H12Cl2N2O/c1-2-8-5-10(18)7-13-14(8)20-15(19-13)11-6-9(16)3-4-12(11)17/h3-7H,2,18H2,1H3
InChIKeyQTUKCBCCLZRHOY-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.95
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine

2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine (PubChem CID 91673447) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine
PubChem CID91673447
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1cc(N)cc2nc(-c3cc(Cl)ccc3Cl)oc12
InChIInChI=1S/C15H12Cl2N2O/c1-2-8-5-10(18)7-13-14(8)20-15(19-13)11-6-9(16)3-4-12(11)17/h3-7H,2,18H2,1H3
InChIKeyQTUKCBCCLZRHOY-UHFFFAOYSA-N
XLogP4.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine (CID 91673447) is 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine is CCc1cc(N)cc2nc(-c3cc(Cl)ccc3Cl)oc12.
What is the InChIKey of 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is QTUKCBCCLZRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-2-8-5-10(18)7-13-14(8)20-15(19-13)11-6-9(16)3-4-12(11)17/h3-7H,2,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine?
2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 307.18 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91673447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).