2-pyridin-3-yl-2,3-dihydro-1,3-oxazole

C8H8N2O — CID 173212997

IUPAC2-pyridin-3-yl-2,3-dihydro-1,3-oxazole
SMILESC1=COC(c2cccnc2)N1
InChIInChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-6,8,10H
InChIKeyXTCCYAUFILGZBG-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.17
Rot. Bonds1

About 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole

2-pyridin-3-yl-2,3-dihydro-1,3-oxazole (PubChem CID 173212997) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-pyridin-3-yl-2,3-dihydro-1,3-oxazole
PubChem CID173212997
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-pyridin-3-yl-2,3-dihydro-1,3-oxazole
SMILESC1=COC(c2cccnc2)N1
InChIInChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-6,8,10H
InChIKeyXTCCYAUFILGZBG-UHFFFAOYSA-N
XLogP1.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-pyridin-2-yl-2,3-dihydro-1,3-oxazole
CID 98070956
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
2-pyridin-3-yl-1,3-oxazinane
CID 14893319
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-[(2S,3S)-3-methyl-2,3-dihydrofuran-2-yl]pyridine
CID 11105660
2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
CID 90480716
2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 14893331
N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
CID 141070937
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
CID 177219714
(2S)-4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
CID 668641
3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole (CID 173212997) is 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole is C1=COC(c2cccnc2)N1.
What is the InChIKey of 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole?
The InChIKey is XTCCYAUFILGZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-6,8,10H.
What are the key properties of 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole?
2-pyridin-3-yl-2,3-dihydro-1,3-oxazole has a molecular weight of 148.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 173212997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).