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

C10H10N2O2 — CID 116826364

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(CC1=NCCO1)c1cccnc1
InChIInChI=1S/C10H10N2O2/c13-9(6-10-12-4-5-14-10)8-2-1-3-11-7-8/h1-3,7H,4-6H2
InChIKeyIOEVYPNYAPAHQH-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.08
Rot. Bonds3

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

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone (PubChem CID 116826364) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone
PubChem CID116826364
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(CC1=NCCO1)c1cccnc1
InChIInChI=1S/C10H10N2O2/c13-9(6-10-12-4-5-14-10)8-2-1-3-11-7-8/h1-3,7H,4-6H2
InChIKeyIOEVYPNYAPAHQH-UHFFFAOYSA-N
XLogP1.08
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 116826300
1,4-dioxane;pyridine-3-carbonyl chloride
CID 146303491
CID 172748531
CID 172748531
2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
CID 149217714
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413749
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone (CID 116826364) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone is O=C(CC1=NCCO1)c1cccnc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone?
The InChIKey is IOEVYPNYAPAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9(6-10-12-4-5-14-10)8-2-1-3-11-7-8/h1-3,7H,4-6H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone has a molecular weight of 190.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 116826364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).