3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

C12H13N3O5 — CID 162919311

IUPAC3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(C(=O)NC(C)c2onc(C)c2C(=O)O)no1
InChIInChI=1S/C12H13N3O5/c1-5-4-8(15-19-5)11(16)13-7(3)10-9(12(17)18)6(2)14-20-10/h4,7H,1-3H3,(H,13,16)(H,17,18)
InChIKeySNYZGMMNRPGJDT-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 162919311) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID162919311
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(C(=O)NC(C)c2onc(C)c2C(=O)O)no1
InChIInChI=1S/C12H13N3O5/c1-5-4-8(15-19-5)11(16)13-7(3)10-9(12(17)18)6(2)14-20-10/h4,7H,1-3H3,(H,13,16)(H,17,18)
InChIKeySNYZGMMNRPGJDT-UHFFFAOYSA-N
XLogP1.47
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic 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-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368328
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (CID 162919311) is 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is Cc1cc(C(=O)NC(C)c2onc(C)c2C(=O)O)no1.
What is the InChIKey of 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is SNYZGMMNRPGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-5-4-8(15-19-5)11(16)13-7(3)10-9(12(17)18)6(2)14-20-10/h4,7H,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162919311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).