7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole

C11H11ClN2OS — CID 82905260

IUPAC7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole
SMILESClc1cccc2nc(C3CSCCN3)oc12
InChIInChI=1S/C11H11ClN2OS/c12-7-2-1-3-8-10(7)15-11(14-8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2
InChIKeyMYFWYAUAGUDEHA-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.86
Rot. Bonds1

About 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole

7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole (PubChem CID 82905260) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole
PubChem CID82905260
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole
SMILESClc1cccc2nc(C3CSCCN3)oc12
InChIInChI=1S/C11H11ClN2OS/c12-7-2-1-3-8-10(7)15-11(14-8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2
InChIKeyMYFWYAUAGUDEHA-UHFFFAOYSA-N
XLogP2.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83868118
2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 83871240
5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
CID 82905095
2-piperidin-2-yl-1,3-benzoxazol-7-amine
CID 83859189
2-(7-azabicyclo[2.2.1]heptan-2-yl)-7-chloro-1,3-benzoxazole
CID 81434110
7-bromo-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83866956
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
3-(2-chlorophenyl)-1,4-thiazepane
CID 66217043
4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
CID 105466255
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
CID 82624502
(1S,6R)-6-(7-chloro-1,3-benzoxazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963016

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole?
The IUPAC name of 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole (CID 82905260) is 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole?
The canonical SMILES for 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole is Clc1cccc2nc(C3CSCCN3)oc12.
What is the InChIKey of 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole?
The InChIKey is MYFWYAUAGUDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-7-2-1-3-8-10(7)15-11(14-8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2.
What are the key properties of 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole?
7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole has a molecular weight of 254.74 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 82905260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).