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

C24H24N4O5S — CID 55666473

IUPACethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C24H24N4O5S/c1-2-31-24(30)19-16(14-5-6-14)13-34-22(19)27-20(29)15-7-9-28(10-8-15)23-17(12-25)26-21(33-23)18-4-3-11-32-18/h3-4,11,13-15H,2,5-10H2,1H3,(H,27,29)
InChIKeyANNFOPAYRZTVBR-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.78
Rot. Bonds7

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

ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate (PubChem CID 55666473) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
PubChem CID55666473
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Nameethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C24H24N4O5S/c1-2-31-24(30)19-16(14-5-6-14)13-34-22(19)27-20(29)15-7-9-28(10-8-15)23-17(12-25)26-21(33-23)18-4-3-11-32-18/h3-4,11,13-15H,2,5-10H2,1H3,(H,27,29)
InChIKeyANNFOPAYRZTVBR-UHFFFAOYSA-N
XLogP4.78
TPSA121.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55877581
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
CID 55670124
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(methoxymethyl)phenyl]piperidine-4-carboxamide
CID 55780102
N-(4-butoxy-2-methylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 55974424
ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 55755526
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 46436267
N-(3-chloro-2,6-diethylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46436027
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55628888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate (CID 55666473) is ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The InChIKey is ANNFOPAYRZTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-2-31-24(30)19-16(14-5-6-14)13-34-22(19)27-20(29)15-7-9-28(10-8-15)23-17(12-25)26-21(33-23)18-4-3-11-32-18/h3-4,11,13-15H,2,5-10H2,1H3,(H,27,29).
What are the key properties of ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate?
ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate has a molecular weight of 480.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate is sourced from PubChem (CID 55666473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).