5-pyridin-4-yl-4,5-dihydro-1,3-oxazole

C8H8N2O — CID 143270067

IUPAC5-pyridin-4-yl-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(c2ccncc2)O1
InChIInChI=1S/C8H8N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-4,6,8H,5H2
InChIKeyXEOGJMBJQBKJPY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.18
Rot. Bonds1

About 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole

5-pyridin-4-yl-4,5-dihydro-1,3-oxazole (PubChem CID 143270067) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-pyridin-4-yl-4,5-dihydro-1,3-oxazole
PubChem CID143270067
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-pyridin-4-yl-4,5-dihydro-1,3-oxazole
SMILESC1=NCC(c2ccncc2)O1
InChIInChI=1S/C8H8N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-4,6,8H,5H2
InChIKeyXEOGJMBJQBKJPY-UHFFFAOYSA-N
XLogP1.18
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 142422179
2-(4,5-dihydro-1,3-oxazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 173474636
5-pyridin-4-yl-1,2-oxazolidine
CID 14714114
ethane;5-(3-methylphenyl)-4,5-dihydro-1,3-oxazole;pyrrolidine-1-carbaldehyde
CID 143615513
4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
3-pyridin-4-yloxolan-2-one
CID 55297132
4-(4,5-dihydro-1H-triazol-5-yl)pyridine
CID 91182101
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
5-bromo-4,5-dihydro-1,3-oxazole
CID 123622722
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole (CID 143270067) is 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole is C1=NCC(c2ccncc2)O1.
What is the InChIKey of 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is XEOGJMBJQBKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-4,6,8H,5H2.
What are the key properties of 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole?
5-pyridin-4-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 148.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 143270067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).