methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate

C20H18N4O5S — CID 55877581

IUPACmethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C20H18N4O5S/c1-27-20(26)13-6-10-30-18(13)23-16(25)12-4-7-24(8-5-12)19-14(11-21)22-17(29-19)15-3-2-9-28-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,23,25)
InChIKeyNAHBYKSPQCFXPI-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate

methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55877581) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID55877581
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Namemethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C20H18N4O5S/c1-27-20(26)13-6-10-30-18(13)23-16(25)12-4-7-24(8-5-12)19-14(11-21)22-17(29-19)15-3-2-9-28-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,23,25)
InChIKeyNAHBYKSPQCFXPI-UHFFFAOYSA-N
XLogP3.51
TPSA121.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate (CID 55877581) is methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is NAHBYKSPQCFXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-27-20(26)13-6-10-30-18(13)23-16(25)12-4-7-24(8-5-12)19-14(11-21)22-17(29-19)15-3-2-9-28-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 426.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55877581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).