2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide

C16H15ClN2O3S — CID 46964428

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-10(7-12-3-2-6-23-12)18-15(20)9-19-13-5-4-11(17)8-14(13)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,18,20)
InChIKeyVJELUUMQTBCOMR-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.06
Rot. Bonds5

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 46964428) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID46964428
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-10(7-12-3-2-6-23-12)18-15(20)9-19-13-5-4-11(17)8-14(13)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,18,20)
InChIKeyVJELUUMQTBCOMR-UHFFFAOYSA-N
XLogP3.06
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
methyl (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 8986905
N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986308
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 9181609
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 69033756
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 46964428) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide is CC(Cc1cccs1)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is VJELUUMQTBCOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-10(7-12-3-2-6-23-12)18-15(20)9-19-13-5-4-11(17)8-14(13)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,18,20).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 350.83 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 46964428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).