2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

C17H15NO2S — CID 28934887

IUPAC2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H15NO2S/c19-13(16-9-11-5-1-4-8-15(11)21-16)10-17-18-12-6-2-3-7-14(12)20-17/h2-3,6-7,9H,1,4-5,8,10H2
InChIKeyFPFJZPCQOXIYEN-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.19
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (PubChem CID 28934887) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
PubChem CID28934887
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H15NO2S/c19-13(16-9-11-5-1-4-8-15(11)21-16)10-17-18-12-6-2-3-7-14(12)20-17/h2-3,6-7,9H,1,4-5,8,10H2
InChIKeyFPFJZPCQOXIYEN-UHFFFAOYSA-N
XLogP4.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone with MolForge

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81266740
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979759
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 9203907
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
1-(1,3-benzoxazol-2-yl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 24607688
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 63528902
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
2-(4-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 114969462
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (CID 28934887) is 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is O=C(Cc1nc2ccccc2o1)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The InChIKey is FPFJZPCQOXIYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-13(16-9-11-5-1-4-8-15(11)21-16)10-17-18-12-6-2-3-7-14(12)20-17/h2-3,6-7,9H,1,4-5,8,10H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone has a molecular weight of 297.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 28934887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).