ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate

C17H20Cl2N4O4 — CID 69360773

IUPACethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)n1
InChIInChI=1S/C17H20Cl2N4O4/c1-3-26-16(25)11-8-27-17(22-11)23-6-4-10(5-7-23)21-15(24)14-13(19)12(18)9(2)20-14/h8,10,20H,3-7H2,1-2H3,(H,21,24)
InChIKeyHPSBPMQSQSVLKX-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 69360773) has the molecular formula C17H20Cl2N4O4 and a molecular weight of 415.28 g/mol. Its IUPAC name is ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID69360773
Molecular FormulaC17H20Cl2N4O4
Molecular Weight415.28 g/mol
Exact Mass414.09
IUPAC Nameethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)n1
InChIInChI=1S/C17H20Cl2N4O4/c1-3-26-16(25)11-8-27-17(22-11)23-6-4-10(5-7-23)21-15(24)14-13(19)12(18)9(2)20-14/h8,10,20H,3-7H2,1-2H3,(H,21,24)
InChIKeyHPSBPMQSQSVLKX-UHFFFAOYSA-N
XLogP3.19
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-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

ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 68579908
ethyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1H-pyrrole-3-carboxylate
CID 141277836
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972
N-(1-carbamoylsulfonylpiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
CID 141277841
4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-N-methoxypyridine-2-carboxamide
CID 86608342
6-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-2-(2-hydroxyethoxy)pyrimidine-4-carboxylic acid
CID 68580265
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11463807
methyl 4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-fluoroquinoline-2-carboxylate
CID 69360102
ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 68582659
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]thiophene-2-carboxylate
CID 68580137
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(2-methoxyethoxy)pyridine-4-carboxamide
CID 11751757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 69360773) is ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)n1.
What is the InChIKey of ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is HPSBPMQSQSVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O4/c1-3-26-16(25)11-8-27-17(22-11)23-6-4-10(5-7-23)21-15(24)14-13(19)12(18)9(2)20-14/h8,10,20H,3-7H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 415.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 69360773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).