N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

C11H8Cl2N2O2 — CID 3073018

IUPACN-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)11(16)14-10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,16)
InChIKeyVSEACZCDIFRYMJ-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.54
Rot. Bonds2

About N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3073018) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3073018
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC NameN-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)11(16)14-10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,16)
InChIKeyVSEACZCDIFRYMJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 3073018) is N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VSEACZCDIFRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)11(16)14-10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 271.10 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).