N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide

C12H11ClN2O2 — CID 110686353

IUPACN-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1cocn1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-9(13)4-11(8)15-12(16)5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyCOVUUCLYIACJDI-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.82
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide (PubChem CID 110686353) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
PubChem CID110686353
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1cocn1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-9(13)4-11(8)15-12(16)5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyCOVUUCLYIACJDI-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679070
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522694
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide (CID 110686353) is N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1cocn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide?
The InChIKey is COVUUCLYIACJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-2-3-9(13)4-11(8)15-12(16)5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 110686353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).