6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole

C13H15ClN2O2S — CID 9350477

IUPAC6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
SMILESClc1ccc2nc(SCCN3CCOCC3)oc2c1
InChIInChI=1S/C13H15ClN2O2S/c14-10-1-2-11-12(9-10)18-13(15-11)19-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8H2
InChIKeyZLQVQJDGQXRZFI-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole

6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole (PubChem CID 9350477) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
PubChem CID9350477
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
SMILESClc1ccc2nc(SCCN3CCOCC3)oc2c1
InChIInChI=1S/C13H15ClN2O2S/c14-10-1-2-11-12(9-10)18-13(15-11)19-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8H2
InChIKeyZLQVQJDGQXRZFI-UHFFFAOYSA-N
XLogP2.91
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
CID 2819294
2-({2-[(2-Fluorophenyl)oxy]ethyl}sulfanyl)-1,3-benzoxazole
CID 2256886
6-Chlorobenzoxazole
CID 9350362
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzoxazole
CID 24949386
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzoxazole
CID 24949534
2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thio]benzoxazole
CID 24949535
5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]thio]benzoxazole
CID 24949696
2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 774032
2-(1,3-Benzoxazol-2-ylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 555537
2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine
CID 434526
1-[(1,3-Benzoxazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 752302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole (CID 9350477) is 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole is Clc1ccc2nc(SCCN3CCOCC3)oc2c1.
What is the InChIKey of 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole?
The InChIKey is ZLQVQJDGQXRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-10-1-2-11-12(9-10)18-13(15-11)19-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8H2.
What are the key properties of 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole?
6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole has a molecular weight of 298.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 9350477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).