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

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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).