5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole

C14H10Cl2N2O — CID 114281167

IUPAC5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
SMILESClCCc1cc(-c2ccc(Cl)c3cccnc23)no1
InChIInChI=1S/C14H10Cl2N2O/c15-6-5-9-8-13(18-19-9)11-3-4-12(16)10-2-1-7-17-14(10)11/h1-4,7-8H,5-6H2
InChIKeySWKBEXWVSIUTCX-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.32
Rot. Bonds3

About 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole

5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole (PubChem CID 114281167) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
PubChem CID114281167
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
SMILESClCCc1cc(-c2ccc(Cl)c3cccnc23)no1
InChIInChI=1S/C14H10Cl2N2O/c15-6-5-9-8-13(18-19-9)11-3-4-12(16)10-2-1-7-17-14(10)11/h1-4,7-8H,5-6H2
InChIKeySWKBEXWVSIUTCX-UHFFFAOYSA-N
XLogP4.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
CID 6367063
CID 6367063
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
CID 172791001
CID 172791001
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole?
The IUPAC name of 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole (CID 114281167) is 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole?
The canonical SMILES for 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole is ClCCc1cc(-c2ccc(Cl)c3cccnc23)no1.
What is the InChIKey of 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole?
The InChIKey is SWKBEXWVSIUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-6-5-9-8-13(18-19-9)11-3-4-12(16)10-2-1-7-17-14(10)11/h1-4,7-8H,5-6H2.
What are the key properties of 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole?
5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole has a molecular weight of 293.15 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole is sourced from PubChem (CID 114281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).