[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C13H14N4O5 — CID 30824186

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C13H14N4O5/c1-7-10(11(14)22-16-7)13(20)21-6-9(18)15-12(19)8-4-3-5-17(8)2/h3-5H,6,14H2,1-2H3,(H,15,18,19)
InChIKeyTUVBSYJIGGJDNC-UHFFFAOYSA-N
MW306.28 g/mol
LogP0.02
Rot. Bonds4

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 30824186) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID30824186
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C13H14N4O5/c1-7-10(11(14)22-16-7)13(20)21-6-9(18)15-12(19)8-4-3-5-17(8)2/h3-5H,6,14H2,1-2H3,(H,15,18,19)
InChIKeyTUVBSYJIGGJDNC-UHFFFAOYSA-N
XLogP0.02
TPSA129.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate 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

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
4-O-ethyl 2-O-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278346
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 2642856
[2-(2-iodoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639271
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570742
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639316
[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 40953167
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 7866067
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 31669374

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 30824186) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OCC(=O)NC(=O)c1cccn1C.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is TUVBSYJIGGJDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-7-10(11(14)22-16-7)13(20)21-6-9(18)15-12(19)8-4-3-5-17(8)2/h3-5H,6,14H2,1-2H3,(H,15,18,19).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 306.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 30824186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).