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

C19H17N5O2S — CID 69030665

IUPAC4-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(C3=NCCO3)c2CN1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H17N5O2S/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/h1-4,6,11H,5,7-10H2,(H,21,23)
InChIKeySGJOEZHKCQUSLM-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.51
Rot. Bonds5

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

4-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one (PubChem CID 69030665) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-(4,5-dihydro-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-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
PubChem CID69030665
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(C3=NCCO3)c2CN1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H17N5O2S/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/h1-4,6,11H,5,7-10H2,(H,21,23)
InChIKeySGJOEZHKCQUSLM-UHFFFAOYSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,5-dihydro-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

Related Compounds

[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967129
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
[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67516217
[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-yl)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67516219
2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
CID 69032684
1-[3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-pyrazol-1-ylphenyl]ethenyl (2S)-2-amino-N-methylpropanimidate
CID 69789109
methyl 3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1H-pyrazol-5-yl)benzoate
CID 69789121
1-[3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1H-pyrazol-5-yl)phenyl]ethenyl 2-amino-N,2-dimethyl-3-phenylpropanimidate
CID 69790486
1-[3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1H-pyrazol-5-yl)phenyl]ethenyl 2-amino-N,2-dimethyl-3-phenylpropanimidate
CID 77717682
2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one
CID 123258404
1-[3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-pyrazol-1-ylphenyl]ethenyl 2-amino-N,2-dimethyl-3-phenylpropanimidate
CID 144369382
ethene;ethyl N-ethyl-1-oxo-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindole-4-carboximidothioate
CID 144372773

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-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-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one (CID 69030665) is 4-(4,5-dihydro-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-(4,5-dihydro-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-(4,5-dihydro-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(C3=NCCO3)c2CN1CCc1csc(-c2ccn[nH]2)n1.
What is the InChIKey of 4-(4,5-dihydro-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 SGJOEZHKCQUSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/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/h1-4,6,11H,5,7-10H2,(H,21,23).
What are the key properties of 4-(4,5-dihydro-1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one?
4-(4,5-dihydro-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 379.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-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 69030665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).