1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one

C21H19N3O2 — CID 118525940

IUPAC1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3cnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C21H19N3O2/c1-21(2)16-8-5-13(10-17(16)24(20(21)25)15-6-7-15)18-12-23-19(26-18)14-4-3-9-22-11-14/h3-5,8-12,15H,6-7H2,1-2H3
InChIKeyPJFBOSHJKOLAEE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.19
Rot. Bonds3

About 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one

1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one (PubChem CID 118525940) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
PubChem CID118525940
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3cnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C21H19N3O2/c1-21(2)16-8-5-13(10-17(16)24(20(21)25)15-6-7-15)18-12-23-19(26-18)14-4-3-9-22-11-14/h3-5,8-12,15H,6-7H2,1-2H3
InChIKeyPJFBOSHJKOLAEE-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one (CID 118525940) is 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one is CC1(C)C(=O)N(C2CC2)c2cc(-c3cnc(-c4cccnc4)o3)ccc21.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one?
The InChIKey is PJFBOSHJKOLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-21(2)16-8-5-13(10-17(16)24(20(21)25)15-6-7-15)18-12-23-19(26-18)14-4-3-9-22-11-14/h3-5,8-12,15H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one has a molecular weight of 345.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one is sourced from PubChem (CID 118525940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).