1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone

C18H14N6O2 — CID 134076456

IUPAC1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone
SMILESO=C(c1cnc[nH]1)N1Cc2cc(-c3ccn[nH]3)ccc2C1c1cnco1
InChIInChI=1S/C18H14N6O2/c25-18(15-6-19-9-21-15)24-8-12-5-11(14-3-4-22-23-14)1-2-13(12)17(24)16-7-20-10-26-16/h1-7,9-10,17H,8H2,(H,19,21)(H,22,23)
InChIKeyDCKUMCJIRZXTAG-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.53
Rot. Bonds3

About 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone

1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone (PubChem CID 134076456) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone
PubChem CID134076456
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone
SMILESO=C(c1cnc[nH]1)N1Cc2cc(-c3ccn[nH]3)ccc2C1c1cnco1
InChIInChI=1S/C18H14N6O2/c25-18(15-6-19-9-21-15)24-8-12-5-11(14-3-4-22-23-14)1-2-13(12)17(24)16-7-20-10-26-16/h1-7,9-10,17H,8H2,(H,19,21)(H,22,23)
InChIKeyDCKUMCJIRZXTAG-UHFFFAOYSA-N
XLogP2.53
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone (CID 134076456) is 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone is O=C(c1cnc[nH]1)N1Cc2cc(-c3ccn[nH]3)ccc2C1c1cnco1.
What is the InChIKey of 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone?
The InChIKey is DCKUMCJIRZXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(15-6-19-9-21-15)24-8-12-5-11(14-3-4-22-23-14)1-2-13(12)17(24)16-7-20-10-26-16/h1-7,9-10,17H,8H2,(H,19,21)(H,22,23).
What are the key properties of 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone?
1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone is sourced from PubChem (CID 134076456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).