ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate

C25H24N4O5 — CID 169304015

IUPACethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)o1
InChIInChI=1S/C25H24N4O5/c1-2-32-24(31)21-15-27-25(34-21)29-12-8-18(9-13-29)28-23(30)17-5-3-16(4-6-17)22-19-10-14-33-20(19)7-11-26-22/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,28,30)
InChIKeyNAPWXETXYLKZQZ-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.06
Rot. Bonds6

About ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate

ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate (PubChem CID 169304015) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
PubChem CID169304015
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Nameethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)o1
InChIInChI=1S/C25H24N4O5/c1-2-32-24(31)21-15-27-25(34-21)29-12-8-18(9-13-29)28-23(30)17-5-3-16(4-6-17)22-19-10-14-33-20(19)7-11-26-22/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,28,30)
InChIKeyNAPWXETXYLKZQZ-UHFFFAOYSA-N
XLogP4.06
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 162519560
4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 170173451
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900978
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate (CID 169304015) is ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)o1.
What is the InChIKey of ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate?
The InChIKey is NAPWXETXYLKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-2-32-24(31)21-15-27-25(34-21)29-12-8-18(9-13-29)28-23(30)17-5-3-16(4-6-17)22-19-10-14-33-20(19)7-11-26-22/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,28,30).
What are the key properties of ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate?
ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 169304015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).