methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate

C14H12Cl2N2O4 — CID 717959

IUPACmethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C14H12Cl2N2O4/c1-7-11(14(20)17-6-10(19)21-2)13(18-22-7)12-8(15)4-3-5-9(12)16/h3-5H,6H2,1-2H3,(H,17,20)
InChIKeyFEHHKDKPQUOLSY-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate

methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate (PubChem CID 717959) has the molecular formula C14H12Cl2N2O4 and a molecular weight of 343.17 g/mol. Its IUPAC name is methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
PubChem CID717959
Molecular FormulaC14H12Cl2N2O4
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Namemethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C14H12Cl2N2O4/c1-7-11(14(20)17-6-10(19)21-2)13(18-22-7)12-8(15)4-3-5-9(12)16/h3-5H,6H2,1-2H3,(H,17,20)
InChIKeyFEHHKDKPQUOLSY-UHFFFAOYSA-N
XLogP2.86
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 23667628
CID 23667628
CID 798832
CID 798832
CID 2815
CID 2815
CID 426788
CID 426788
CID 700029
CID 700029
CID 743794
CID 743794
CID 2726141
CID 2726141
CID 653647
CID 653647
CID 707574
CID 707574
CID 717954
CID 717954
CID 1368511
CID 1368511
CID 1484363
CID 1484363

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate (CID 717959) is methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The InChIKey is FEHHKDKPQUOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4/c1-7-11(14(20)17-6-10(19)21-2)13(18-22-7)12-8(15)4-3-5-9(12)16/h3-5H,6H2,1-2H3,(H,17,20).
What are the key properties of methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate has a molecular weight of 343.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 717959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).