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

C13H10Cl2N2O4 — CID 139235662

IUPAC2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid
SMILESCc1noc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H10Cl2N2O4/c1-6-10(13(20)16-5-9(18)19)12(21-17-6)11-7(14)3-2-4-8(11)15/h2-4H,5H2,1H3,(H,16,20)(H,18,19)
InChIKeyGSONGFLVBIHHRL-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.77
Rot. Bonds4

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

2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid (PubChem CID 139235662) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid
PubChem CID139235662
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid
SMILESCc1noc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H10Cl2N2O4/c1-6-10(13(20)16-5-9(18)19)12(21-17-6)11-7(14)3-2-4-8(11)15/h2-4H,5H2,1H3,(H,16,20)(H,18,19)
InChIKeyGSONGFLVBIHHRL-UHFFFAOYSA-N
XLogP2.77
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium(3+)
CID 20616881
5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium
CID 59124225
5-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 92760842
N-[(2-chloro-6-methylphenyl)methyl]-5-(3,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097379
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097190
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
4-[[[3-(2-chloro-6-methylphenyl)-5-phenyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 163760770

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid (CID 139235662) is 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid is Cc1noc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid?
The InChIKey is GSONGFLVBIHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-6-10(13(20)16-5-9(18)19)12(21-17-6)11-7(14)3-2-4-8(11)15/h2-4H,5H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid?
2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid has a molecular weight of 329.14 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 139235662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).