N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

C11H8Cl2N2O2 — CID 17173847

IUPACN-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyULPKSWAQDCJLMN-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.54
Rot. Bonds2

About N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 17173847) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID17173847
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC NameN-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyULPKSWAQDCJLMN-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-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 17173847) is N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)no1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ULPKSWAQDCJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2,4-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-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17173847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).