1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile

C18H12N4O2 — CID 131657452

IUPAC1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C(=O)c1ccncc1)C2c1cnco1
InChIInChI=1S/C18H12N4O2/c19-8-12-1-2-15-14(7-12)10-22(17(15)16-9-21-11-24-16)18(23)13-3-5-20-6-4-13/h1-7,9,11,17H,10H2
InChIKeyWWXNWUUSLIIJQF-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.69
Rot. Bonds2

About 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile

1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile (PubChem CID 131657452) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile.

Molecular Properties

Compound Name1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile
PubChem CID131657452
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C(=O)c1ccncc1)C2c1cnco1
InChIInChI=1S/C18H12N4O2/c19-8-12-1-2-15-14(7-12)10-22(17(15)16-9-21-11-24-16)18(23)13-3-5-20-6-4-13/h1-7,9,11,17H,10H2
InChIKeyWWXNWUUSLIIJQF-UHFFFAOYSA-N
XLogP2.69
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone
CID 97406341
[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone
CID 118738905
(3S)-2-benzoyl-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2480971
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine
CID 134076435
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 154531997
4-(4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl)benzonitrile
CID 46378379
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-[(1R,9S)-6-oxo-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile
CID 7662758
3-[7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carbonyl]benzonitrile
CID 131692047
4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile
CID 76539829

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile?
The IUPAC name of 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile (CID 131657452) is 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile.
What is the SMILES notation for 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile?
The canonical SMILES for 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile is N#Cc1ccc2c(c1)CN(C(=O)c1ccncc1)C2c1cnco1.
What is the InChIKey of 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile?
The InChIKey is WWXNWUUSLIIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-8-12-1-2-15-14(7-12)10-22(17(15)16-9-21-11-24-16)18(23)13-3-5-20-6-4-13/h1-7,9,11,17H,10H2.
What are the key properties of 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile?
1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile has a molecular weight of 316.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile is sourced from PubChem (CID 131657452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).