4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole

C8H7ClN2O — CID 21251107

IUPAC4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cncc(C2COC=N2)c1
InChIInChI=1S/C8H7ClN2O/c9-7-1-6(2-10-3-7)8-4-12-5-11-8/h1-3,5,8H,4H2
InChIKeyPKHSUHOWQIQNQB-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.83
Rot. Bonds1

About 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole

4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole (PubChem CID 21251107) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
PubChem CID21251107
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cncc(C2COC=N2)c1
InChIInChI=1S/C8H7ClN2O/c9-7-1-6(2-10-3-7)8-4-12-5-11-8/h1-3,5,8H,4H2
InChIKeyPKHSUHOWQIQNQB-UHFFFAOYSA-N
XLogP1.83
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-azetidin-2-yl]-5-chloropyridine
CID 130691845
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
(2R)-2-(5-chloro-3-pyridinyl)piperazine
CID 55273838
3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine
CID 166469655
3,5-dichloropyridine;ethane
CID 142010125
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine
CID 163261195
4-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 54256125
chloro hypochlorite;3,5-dichloropyridine;selane
CID 174537044
5-chloropyridine-3-carbonitrile
CID 12645070
1-[3-(5-chloro-3-pyridinyl)-5-methyl-2-nitro-2,3-dihydrofuran-4-yl]ethanone
CID 25189648
3-(5-chloro-3-pyridinyl)-5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134080319

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole (CID 21251107) is 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole is Clc1cncc(C2COC=N2)c1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PKHSUHOWQIQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-7-1-6(2-10-3-7)8-4-12-5-11-8/h1-3,5,8H,4H2.
What are the key properties of 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 182.61 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 21251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).