2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C11H11ClN2O3 — CID 115161945

IUPAC2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3
InChIKeyNIEIBOQZSIOOFP-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.33
Rot. Bonds2

About 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 115161945) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID115161945
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3
InChIKeyNIEIBOQZSIOOFP-UHFFFAOYSA-N
XLogP1.33
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115138921
2-methyl-3-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanoic acid
CID 115219367
4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115155233
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
CID 115170784
5-[(2-amino-3-hydroxypropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115120469
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
5-[1-aminopropan-2-yl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 117039935
5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115131826
5-(3-chloropropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 116917882
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 115161945) is 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is CN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is NIEIBOQZSIOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 254.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 115161945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).