1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide

C14H14N4O2 — CID 134794215

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCNC(=O)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C14H14N4O2/c1-2-7-16-13(19)10-5-4-9-18(10)14-17-12-11(20-14)6-3-8-15-12/h1,3,6,8,10H,4-5,7,9H2,(H,16,19)
InChIKeyNPECHWASBJRWPH-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide (PubChem CID 134794215) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide
PubChem CID134794215
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCNC(=O)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C14H14N4O2/c1-2-7-16-13(19)10-5-4-9-18(10)14-17-12-11(20-14)6-3-8-15-12/h1,3,6,8,10H,4-5,7,9H2,(H,16,19)
InChIKeyNPECHWASBJRWPH-UHFFFAOYSA-N
XLogP0.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
tert-butyl N-[3-[[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propyl]carbamate
CID 126850572
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
1-(1,3-benzoxazol-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 121177816
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)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 134791749
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
CID 134792125
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
CID 18340171
(2S)-1-(1,3-benzoxazol-2-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 129355095
N-[(3-fluorophenyl)methyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 134793193

Frequently Asked Questions

What is the IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide (CID 134794215) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide is C#CCNC(=O)C1CCCN1c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide?
The InChIKey is NPECHWASBJRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-7-16-13(19)10-5-4-9-18(10)14-17-12-11(20-14)6-3-8-15-12/h1,3,6,8,10H,4-5,7,9H2,(H,16,19).
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134794215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).