1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

C13H16N4O4 — CID 107496257

IUPAC1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1noc(C)c1CC(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H16N4O4/c1-8-10(9(2)21-16-8)5-12(18)14-3-4-17-6-11(13(19)20)15-7-17/h6-7H,3-5H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyRCDQXRCRFVCFKU-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.55
Rot. Bonds6

About 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496257) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496257
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1noc(C)c1CC(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H16N4O4/c1-8-10(9(2)21-16-8)5-12(18)14-3-4-17-6-11(13(19)20)15-7-17/h6-7H,3-5H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyRCDQXRCRFVCFKU-UHFFFAOYSA-N
XLogP0.55
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496353
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[[2-(3-aminophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500327
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122278010
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
1-[2-[(4-amino-3-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500519
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107496257) is 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is Cc1noc(C)c1CC(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is RCDQXRCRFVCFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-10(9(2)21-16-8)5-12(18)14-3-4-17-6-11(13(19)20)15-7-17/h6-7H,3-5H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).