2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide

C18H23N7O2 — CID 154823845

IUPAC2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C18H23N7O2/c1-2-25-16(21-15(23-25)10-14(19)26)9-12-5-4-8-24(11-12)18-22-17-13(27-18)6-3-7-20-17/h3,6-7,12H,2,4-5,8-11H2,1H3,(H2,19,26)
InChIKeyDSDHGXYUJBJWOY-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.32
Rot. Bonds6

About 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 154823845) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID154823845
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C18H23N7O2/c1-2-25-16(21-15(23-25)10-14(19)26)9-12-5-4-8-24(11-12)18-22-17-13(27-18)6-3-7-20-17/h3,6-7,12H,2,4-5,8-11H2,1H3,(H2,19,26)
InChIKeyDSDHGXYUJBJWOY-UHFFFAOYSA-N
XLogP1.32
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 146045024
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-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644
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
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
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide (CID 154823845) is 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide is CCn1nc(CC(N)=O)nc1CC1CCCN(c2nc3ncccc3o2)C1.
What is the InChIKey of 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DSDHGXYUJBJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-2-25-16(21-15(23-25)10-14(19)26)9-12-5-4-8-24(11-12)18-22-17-13(27-18)6-3-7-20-17/h3,6-7,12H,2,4-5,8-11H2,1H3,(H2,19,26).
What are the key properties of 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 154823845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).