ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate

C18H24N4O4 — CID 154564373

IUPACethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C18H24N4O4/c1-2-25-16(24)7-9-19-15(23)11-13-5-4-10-22(12-13)18-21-17-14(26-18)6-3-8-20-17/h3,6,8,13H,2,4-5,7,9-12H2,1H3,(H,19,23)
InChIKeyPMQZJEJQYFNYIN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.90
Rot. Bonds7

About ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate

ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate (PubChem CID 154564373) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
PubChem CID154564373
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C18H24N4O4/c1-2-25-16(24)7-9-19-15(23)11-13-5-4-10-22(12-13)18-21-17-14(26-18)6-3-8-20-17/h3,6,8,13H,2,4-5,7,9-12H2,1H3,(H,19,23)
InChIKeyPMQZJEJQYFNYIN-UHFFFAOYSA-N
XLogP1.90
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate with MolForge

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Related Compounds

2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 155505002
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154568639
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 155508879
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154816114
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 134791749

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate (CID 154564373) is ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate is CCOC(=O)CCNC(=O)CC1CCCN(c2nc3ncccc3o2)C1.
What is the InChIKey of ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The InChIKey is PMQZJEJQYFNYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-25-16(24)7-9-19-15(23)11-13-5-4-10-22(12-13)18-21-17-14(26-18)6-3-8-20-17/h3,6,8,13H,2,4-5,7,9-12H2,1H3,(H,19,23).
What are the key properties of ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate has a molecular weight of 360.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate is sourced from PubChem (CID 154564373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).