3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

C15H11ClFN3O3 — CID 2805289

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1
InChIInChI=1S/C15H11ClFN3O3/c1-7-6-11(19-22-7)18-15(21)12-8(2)23-20-14(12)13-9(16)4-3-5-10(13)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeySEUFTZADNPPDSS-UHFFFAOYSA-N
MW335.72 g/mol
LogP3.99
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2805289) has the molecular formula C15H11ClFN3O3 and a molecular weight of 335.72 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID2805289
Molecular FormulaC15H11ClFN3O3
Molecular Weight335.72 g/mol
Exact Mass335.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1
InChIInChI=1S/C15H11ClFN3O3/c1-7-6-11(19-22-7)18-15(21)12-8(2)23-20-14(12)13-9(16)4-3-5-10(13)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeySEUFTZADNPPDSS-UHFFFAOYSA-N
XLogP3.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (CID 2805289) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is SEUFTZADNPPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3/c1-7-6-11(19-22-7)18-15(21)12-8(2)23-20-14(12)13-9(16)4-3-5-10(13)17/h3-6H,1-2H3,(H,18,19,21).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 335.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2805289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).