2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H15ClFN3O4 — CID 134002588

IUPAC2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)COc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C15H15ClFN3O4/c1-9-5-13(19-24-9)18-14(21)7-20(2)15(22)8-23-10-3-4-12(17)11(16)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyCFFDACDJJYPOLW-UHFFFAOYSA-N
MW355.75 g/mol
LogP2.25
Rot. Bonds6

About 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 134002588) has the molecular formula C15H15ClFN3O4 and a molecular weight of 355.75 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID134002588
Molecular FormulaC15H15ClFN3O4
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)COc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C15H15ClFN3O4/c1-9-5-13(19-24-9)18-14(21)7-20(2)15(22)8-23-10-3-4-12(17)11(16)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyCFFDACDJJYPOLW-UHFFFAOYSA-N
XLogP2.25
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55772881
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51267605
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
5-chloro-2-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 51267404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 134002588) is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)C(=O)COc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CFFDACDJJYPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O4/c1-9-5-13(19-24-9)18-14(21)7-20(2)15(22)8-23-10-3-4-12(17)11(16)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 355.75 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 134002588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).