4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one

C19H15N5O2S — CID 57330858

IUPAC4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-c3ncco3)c2CN1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H15N5O2S/c25-19-14-3-1-2-13(17-20-7-9-26-17)15(14)10-24(19)8-5-12-11-27-18(22-12)16-4-6-21-23-16/h1-4,6-7,9,11H,5,8,10H2,(H,21,23)
InChIKeyFIRKWSJLTBAQTH-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.39
Rot. Bonds5

About 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one

4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one (PubChem CID 57330858) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
PubChem CID57330858
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-c3ncco3)c2CN1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H15N5O2S/c25-19-14-3-1-2-13(17-20-7-9-26-17)15(14)10-24(19)8-5-12-11-27-18(22-12)16-4-6-21-23-16/h1-4,6-7,9,11H,5,8,10H2,(H,21,23)
InChIKeyFIRKWSJLTBAQTH-UHFFFAOYSA-N
XLogP3.39
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one?
The IUPAC name of 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one (CID 57330858) is 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one?
The canonical SMILES for 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one is O=C1c2cccc(-c3ncco3)c2CN1CCc1csc(-c2ccn[nH]2)n1.
What is the InChIKey of 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one?
The InChIKey is FIRKWSJLTBAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-19-14-3-1-2-13(17-20-7-9-26-17)15(14)10-24(19)8-5-12-11-27-18(22-12)16-4-6-21-23-16/h1-4,6-7,9,11H,5,8,10H2,(H,21,23).
What are the key properties of 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one?
4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one has a molecular weight of 377.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 57330858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).