3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane

C17H23N3O — CID 90790732

IUPAC3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC.c1cncc(C2=NOC(c3cccnc3)C2)c1
InChIInChI=1S/C13H11N3O.2C2H6/c1-3-10(8-14-5-1)12-7-13(17-16-12)11-4-2-6-15-9-11;2*1-2/h1-6,8-9,13H,7H2;2*1-2H3
InChIKeyFWONYSRTYUISEC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.39
Rot. Bonds2

About 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane

3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane (PubChem CID 90790732) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane.

Molecular Properties

Compound Name3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
PubChem CID90790732
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC.c1cncc(C2=NOC(c3cccnc3)C2)c1
InChIInChI=1S/C13H11N3O.2C2H6/c1-3-10(8-14-5-1)12-7-13(17-16-12)11-4-2-6-15-9-11;2*1-2/h1-6,8-9,13H,7H2;2*1-2H3
InChIKeyFWONYSRTYUISEC-UHFFFAOYSA-N
XLogP4.39
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 91719391
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 18510754
N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 87907234
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 58126595
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 162121836
(5S)-3-bromo-5-(5-pyridin-3-ylthiophen-2-yl)-4,5-dihydro-1,2-oxazole
CID 58126752
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
sodium;2-ethenylpyridine;(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine;5-pyridin-2-yl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole;hypochlorite
CID 172921314

Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane?
The IUPAC name of 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane (CID 90790732) is 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane.
What is the SMILES notation for 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane?
The canonical SMILES for 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane is CC.CC.c1cncc(C2=NOC(c3cccnc3)C2)c1.
What is the InChIKey of 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane?
The InChIKey is FWONYSRTYUISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O.2C2H6/c1-3-10(8-14-5-1)12-7-13(17-16-12)11-4-2-6-15-9-11;2*1-2/h1-6,8-9,13H,7H2;2*1-2H3.
What are the key properties of 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane?
3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane has a molecular weight of 285.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane is sourced from PubChem (CID 90790732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).