(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate

C10H10N2O3 — CID 590082

IUPAC(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate
SMILESCC(=O)OC1CC(c2ccncc2)=NO1
InChIInChI=1S/C10H10N2O3/c1-7(13)14-10-6-9(12-15-10)8-2-4-11-5-3-8/h2-5,10H,6H2,1H3
InChIKeyNZTZBHSZXPVNNL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.10
Rot. Bonds2

About (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate

(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate (PubChem CID 590082) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate.

Molecular Properties

Compound Name(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate
PubChem CID590082
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate
SMILESCC(=O)OC1CC(c2ccncc2)=NO1
InChIInChI=1S/C10H10N2O3/c1-7(13)14-10-6-9(12-15-10)8-2-4-11-5-3-8/h2-5,10H,6H2,1H3
InChIKeyNZTZBHSZXPVNNL-UHFFFAOYSA-N
XLogP1.10
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate?
The IUPAC name of (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate (CID 590082) is (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate.
What is the SMILES notation for (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate?
The canonical SMILES for (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate is CC(=O)OC1CC(c2ccncc2)=NO1.
What is the InChIKey of (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate?
The InChIKey is NZTZBHSZXPVNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(13)14-10-6-9(12-15-10)8-2-4-11-5-3-8/h2-5,10H,6H2,1H3.
What are the key properties of (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate?
(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate has a molecular weight of 206.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate is sourced from PubChem (CID 590082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).