[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone

C19H14N6O2 — CID 134076463

IUPAC[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1Cc2cc(-c3ccncc3)ccc2C1c1cnco1
InChIInChI=1S/C19H14N6O2/c26-19(18-22-10-23-24-18)25-9-14-7-13(12-3-5-20-6-4-12)1-2-15(14)17(25)16-8-21-11-27-16/h1-8,10-11,17H,9H2,(H,22,23,24)
InChIKeyZHSKHZGZDKFOCF-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.60
Rot. Bonds3

About [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone

[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 134076463) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID134076463
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1Cc2cc(-c3ccncc3)ccc2C1c1cnco1
InChIInChI=1S/C19H14N6O2/c26-19(18-22-10-23-24-18)25-9-14-7-13(12-3-5-20-6-4-12)1-2-15(14)17(25)16-8-21-11-27-16/h1-8,10-11,17H,9H2,(H,22,23,24)
InChIKeyZHSKHZGZDKFOCF-UHFFFAOYSA-N
XLogP2.60
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 134076463) is [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1Cc2cc(-c3ccncc3)ccc2C1c1cnco1.
What is the InChIKey of [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is ZHSKHZGZDKFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c26-19(18-22-10-23-24-18)25-9-14-7-13(12-3-5-20-6-4-12)1-2-15(14)17(25)16-8-21-11-27-16/h1-8,10-11,17H,9H2,(H,22,23,24).
What are the key properties of [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 358.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 134076463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).