6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one

C23H23N3O2 — CID 137373565

IUPAC6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3ncccc3-c3cnc(CC4CCCC4)o3)cc2C1=O
InChIInChI=1S/C23H23N3O2/c1-26-14-17-9-8-16(12-19(17)23(26)27)22-18(7-4-10-24-22)20-13-25-21(28-20)11-15-5-2-3-6-15/h4,7-10,12-13,15H,2-3,5-6,11,14H2,1H3
InChIKeyKWVJQSHHAVOAGB-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.72
Rot. Bonds4

About 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one

6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one (PubChem CID 137373565) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
PubChem CID137373565
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3ncccc3-c3cnc(CC4CCCC4)o3)cc2C1=O
InChIInChI=1S/C23H23N3O2/c1-26-14-17-9-8-16(12-19(17)23(26)27)22-18(7-4-10-24-22)20-13-25-21(28-20)11-15-5-2-3-6-15/h4,7-10,12-13,15H,2-3,5-6,11,14H2,1H3
InChIKeyKWVJQSHHAVOAGB-UHFFFAOYSA-N
XLogP4.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one with MolForge

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Related Compounds

6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373546
2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
CID 142469559
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
CID 171678578
ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 162520423
2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 129301868
ethyl (6R)-6-[4-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849555
6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one
CID 171706136
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
CID 137394542
6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 165395830
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 129077393

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one (CID 137373565) is 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(-c3ncccc3-c3cnc(CC4CCCC4)o3)cc2C1=O.
What is the InChIKey of 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one?
The InChIKey is KWVJQSHHAVOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26-14-17-9-8-16(12-19(17)23(26)27)22-18(7-4-10-24-22)20-13-25-21(28-20)11-15-5-2-3-6-15/h4,7-10,12-13,15H,2-3,5-6,11,14H2,1H3.
What are the key properties of 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one?
6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one has a molecular weight of 373.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 137373565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).