4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile

C11H5N3O — CID 76539829

IUPAC4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cnco2)c(C#N)c1
InChIInChI=1S/C11H5N3O/c12-4-8-1-2-10(9(3-8)5-13)11-6-14-7-15-11/h1-3,6-7H
InChIKeyPVHPCSAVWOZCKP-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.08
Rot. Bonds1

About 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile

4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 76539829) has the molecular formula C11H5N3O and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID76539829
Molecular FormulaC11H5N3O
Molecular Weight195.18 g/mol
Exact Mass195.04
IUPAC Name4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cnco2)c(C#N)c1
InChIInChI=1S/C11H5N3O/c12-4-8-1-2-10(9(3-8)5-13)11-6-14-7-15-11/h1-3,6-7H
InChIKeyPVHPCSAVWOZCKP-UHFFFAOYSA-N
XLogP2.08
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-2-ylbenzene-1,3-dicarbonitrile
CID 76539683
4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
CID 15541186
5-methyl-2-(1,3-oxazol-5-yl)phenol
CID 123933373
(6S)-6-methyl-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]iminomethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 163444066
N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766796
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
2-(1,3-oxazol-5-yl)phenol
CID 22723465
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
CID 137394542
2-[[3-(hydroxymethyl)-4-(1,3-oxazol-5-yl)phenyl]diazenyl]propanedinitrile
CID 123282257
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163885900
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]hydrazine
CID 23106631

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile (CID 76539829) is 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2cnco2)c(C#N)c1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is PVHPCSAVWOZCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O/c12-4-8-1-2-10(9(3-8)5-13)11-6-14-7-15-11/h1-3,6-7H.
What are the key properties of 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile?
4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 195.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 76539829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).