4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine

C9H8Cl2N2O — CID 82231354

IUPAC4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2c(Cl)c(N)c(Cl)cc2o1
InChIInChI=1S/C9H8Cl2N2O/c1-2-6-13-9-5(14-6)3-4(10)8(12)7(9)11/h3H,2,12H2,1H3
InChIKeyFBBAWGIHGQOJBS-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.28
Rot. Bonds1

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

4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine (PubChem CID 82231354) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine
PubChem CID82231354
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2c(Cl)c(N)c(Cl)cc2o1
InChIInChI=1S/C9H8Cl2N2O/c1-2-6-13-9-5(14-6)3-4(10)8(12)7(9)11/h3H,2,12H2,1H3
InChIKeyFBBAWGIHGQOJBS-UHFFFAOYSA-N
XLogP3.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
CID 178076607
6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
CID 82233934
2-ethyl-4-methyl-1,3-benzoxazole-6-thiol
CID 142292435
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
CID 70639293
4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82232169
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82231129
2-ethyl-1,3-benzoxazole
CID 23239
6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole
CID 82231776
2-ethyl-1,3-benzoxazole-4-carbonitrile
CID 130769344
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine (CID 82231354) is 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine is CCc1nc2c(Cl)c(N)c(Cl)cc2o1.
What is the InChIKey of 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is FBBAWGIHGQOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-2-6-13-9-5(14-6)3-4(10)8(12)7(9)11/h3H,2,12H2,1H3.
What are the key properties of 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine?
4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 231.08 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).