6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C10H11N3O2 — CID 170487116

IUPAC6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESNCCC=Cc1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11N3O2/c11-4-2-1-3-7-5-8-9(12-6-7)13-10(14)15-8/h1,3,5-6H,2,4,11H2,(H,12,13,14)
InChIKeyAZNFYSCYZNCOLK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.88
Rot. Bonds3

About 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 170487116) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID170487116
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESNCCC=Cc1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11N3O2/c11-4-2-1-3-7-5-8-9(12-6-7)13-10(14)15-8/h1,3,5-6H,2,4,11H2,(H,12,13,14)
InChIKeyAZNFYSCYZNCOLK-UHFFFAOYSA-N
XLogP0.88
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-[4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)but-3-enyl] ethanethioate
CID 170480296
ethyl 4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)but-3-enoate
CID 170796317
6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 169461911
tert-butyl (E)-3-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate
CID 59456950
5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one
CID 170487921
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 118654391
6-(3-aminoprop-1-enyl)-3H-1,3-benzoxazol-2-one
CID 169463735
6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 169485161
6-(4-chlorobut-1-enyl)-3H-1,3-benzoxazol-2-one
CID 170499340
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897
5-(4-aminobut-1-enyl)pyridine-3-carbohydrazide
CID 170487393
methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
CID 170487339

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 170487116) is 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is NCCC=Cc1cnc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is AZNFYSCYZNCOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-4-2-1-3-7-5-8-9(12-6-7)13-10(14)15-8/h1,3,5-6H,2,4,11H2,(H,12,13,14).
What are the key properties of 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 170487116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).