2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide

C10H9ClN2O3 — CID 8986285

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O3/c1-12-9(14)5-13-7-3-2-6(11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyZBFHIJJKDKKGRN-UHFFFAOYSA-N
MW240.65 g/mol
LogP0.99
Rot. Bonds2

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide (PubChem CID 8986285) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
PubChem CID8986285
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O3/c1-12-9(14)5-13-7-3-2-6(11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyZBFHIJJKDKKGRN-UHFFFAOYSA-N
XLogP0.99
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
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
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986142
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 69033756

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide (CID 8986285) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide is CNC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide?
The InChIKey is ZBFHIJJKDKKGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-12-9(14)5-13-7-3-2-6(11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide has a molecular weight of 240.65 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 8986285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).