2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid

C15H14Cl2N2O4 — CID 119136390

IUPAC2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H14Cl2N2O4/c1-19(8-15(21)22)14(20)5-4-13-18-7-12(23-13)10-3-2-9(16)6-11(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,21,22)
InChIKeyGVELKKSLZFKEJX-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.12
Rot. Bonds6

About 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid

2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid (PubChem CID 119136390) has the molecular formula C15H14Cl2N2O4 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
PubChem CID119136390
Molecular FormulaC15H14Cl2N2O4
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Name2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H14Cl2N2O4/c1-19(8-15(21)22)14(20)5-4-13-18-7-12(23-13)10-3-2-9(16)6-11(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,21,22)
InChIKeyGVELKKSLZFKEJX-UHFFFAOYSA-N
XLogP3.12
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]propanoic acid
CID 119208683
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 55494607
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 86943481
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835841
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
1-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid (CID 119136390) is 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid?
The InChIKey is GVELKKSLZFKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4/c1-19(8-15(21)22)14(20)5-4-13-18-7-12(23-13)10-3-2-9(16)6-11(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,21,22).
What are the key properties of 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid?
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid has a molecular weight of 357.19 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid is sourced from PubChem (CID 119136390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).