5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole

C13H16N2OS — CID 82905095

IUPAC5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
SMILESCCc1ccc2oc(C3CSCCN3)nc2c1
InChIInChI=1S/C13H16N2OS/c1-2-9-3-4-12-10(7-9)15-13(16-12)11-8-17-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3
InChIKeySOGKLLKBLGGDDI-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.77
Rot. Bonds2

About 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole

5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole (PubChem CID 82905095) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
PubChem CID82905095
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
SMILESCCc1ccc2oc(C3CSCCN3)nc2c1
InChIInChI=1S/C13H16N2OS/c1-2-9-3-4-12-10(7-9)15-13(16-12)11-8-17-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3
InChIKeySOGKLLKBLGGDDI-UHFFFAOYSA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 83871240
7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole
CID 82905260
2-(1-adamantyl)-5-ethyl-1,3-benzoxazole
CID 91679420
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
CID 114425040
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole (CID 82905095) is 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole is CCc1ccc2oc(C3CSCCN3)nc2c1.
What is the InChIKey of 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole?
The InChIKey is SOGKLLKBLGGDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-9-3-4-12-10(7-9)15-13(16-12)11-8-17-6-5-14-11/h3-4,7,11,14H,2,5-6,8H2,1H3.
What are the key properties of 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole?
5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole has a molecular weight of 248.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 82905095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).