3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C11H10N2O2 — CID 115872228

IUPAC3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC#CCCCn1c(=O)oc2cccnc21
InChIInChI=1S/C11H10N2O2/c1-2-3-4-8-13-10-9(15-11(13)14)6-5-7-12-10/h1,5-7H,3-4,8H2
InChIKeyBMQINOBETONZBC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.40
Rot. Bonds3

About 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one

3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 115872228) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID115872228
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC#CCCCn1c(=O)oc2cccnc21
InChIInChI=1S/C11H10N2O2/c1-2-3-4-8-13-10-9(15-11(13)14)6-5-7-12-10/h1,5-7H,3-4,8H2
InChIKeyBMQINOBETONZBC-UHFFFAOYSA-N
XLogP1.40
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 67898464
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
3-[3-(4-methylphenyl)sulfonylpropyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75442440
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15745413
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 91943763
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817
3-[2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 167762018
3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 82143832

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 115872228) is 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one is C#CCCCn1c(=O)oc2cccnc21.
What is the InChIKey of 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is BMQINOBETONZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-3-4-8-13-10-9(15-11(13)14)6-5-7-12-10/h1,5-7H,3-4,8H2.
What are the key properties of 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 202.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 115872228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).