2-(2-chloroethyl)benzo[g][1,3]benzoxazole

C13H10ClNO — CID 14072483

IUPAC2-(2-chloroethyl)benzo[g][1,3]benzoxazole
SMILESClCCc1nc2ccc3ccccc3c2o1
InChIInChI=1S/C13H10ClNO/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h1-6H,7-8H2
InChIKeyCYUYGUHYHSZXGJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.76
Rot. Bonds2

About 2-(2-chloroethyl)benzo[g][1,3]benzoxazole

2-(2-chloroethyl)benzo[g][1,3]benzoxazole (PubChem CID 14072483) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)benzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)benzo[g][1,3]benzoxazole
PubChem CID14072483
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name2-(2-chloroethyl)benzo[g][1,3]benzoxazole
SMILESClCCc1nc2ccc3ccccc3c2o1
InChIInChI=1S/C13H10ClNO/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h1-6H,7-8H2
InChIKeyCYUYGUHYHSZXGJ-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)benzo[g][1,3]benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-(2-chloroethyl)-1,3-benzoxazole
CID 118382707
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
1-chloro-2-(2-chloroethyl)-3-methylbenzo[f]quinoline
CID 617705
4-[2-(chloromethyl)benzo[g][1,3]benzoxazol-5-yl]phenol
CID 174961597
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
1-(2-chloroethyl)isoquinoline
CID 67627404
pyrano[3,2-c]isoquinolin-2-one
CID 44521863
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
CID 67403426
benzo[g][1,2]benzoxazole
CID 11030249
7-(bromomethyl)-2-(chloromethyl)-1,3-benzoxazole
CID 130769397
2-propyl-3,1-benzoxazin-4-one
CID 823661
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)benzo[g][1,3]benzoxazole?
The IUPAC name of 2-(2-chloroethyl)benzo[g][1,3]benzoxazole (CID 14072483) is 2-(2-chloroethyl)benzo[g][1,3]benzoxazole.
What is the SMILES notation for 2-(2-chloroethyl)benzo[g][1,3]benzoxazole?
The canonical SMILES for 2-(2-chloroethyl)benzo[g][1,3]benzoxazole is ClCCc1nc2ccc3ccccc3c2o1.
What is the InChIKey of 2-(2-chloroethyl)benzo[g][1,3]benzoxazole?
The InChIKey is CYUYGUHYHSZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h1-6H,7-8H2.
What are the key properties of 2-(2-chloroethyl)benzo[g][1,3]benzoxazole?
2-(2-chloroethyl)benzo[g][1,3]benzoxazole has a molecular weight of 231.68 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)benzo[g][1,3]benzoxazole is sourced from PubChem (CID 14072483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).