methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate

C17H19N3O5S — CID 39103554

IUPACmethyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)s1
InChIInChI=1S/C17H19N3O5S/c1-10-12(9-18-25-10)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-13(26-14)17(23)24-2/h3-4,9,11H,5-8H2,1-2H3,(H,19,21)
InChIKeyBPKLYNIDYVHQQT-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.32
Rot. Bonds4

About methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate

methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 39103554) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
PubChem CID39103554
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Namemethyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)s1
InChIInChI=1S/C17H19N3O5S/c1-10-12(9-18-25-10)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-13(26-14)17(23)24-2/h3-4,9,11H,5-8H2,1-2H3,(H,19,21)
InChIKeyBPKLYNIDYVHQQT-UHFFFAOYSA-N
XLogP2.32
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-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

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
CID 134057736
methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 18103775
(4-methoxycarbonylphenyl) 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 16582580
N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 86776948
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 95179508
tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
CID 25071103
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373
methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate (CID 39103554) is methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)s1.
What is the InChIKey of methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is BPKLYNIDYVHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-10-12(9-18-25-10)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-13(26-14)17(23)24-2/h3-4,9,11H,5-8H2,1-2H3,(H,19,21).
What are the key properties of methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 39103554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).