1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

C20H19N3O2 — CID 118525994

IUPAC1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C20H19N3O2/c1-12-9-14(7-8-21-12)18-22-11-17(25-18)13-5-6-15-16(10-13)23(4)19(24)20(15,2)3/h5-11H,1-4H3
InChIKeyQDGLEHXHHDCRED-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.97
Rot. Bonds2

About 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (PubChem CID 118525994) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
PubChem CID118525994
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C20H19N3O2/c1-12-9-14(7-8-21-12)18-22-11-17(25-18)13-5-6-15-16(10-13)23(4)19(24)20(15,2)3/h5-11H,1-4H3
InChIKeyQDGLEHXHHDCRED-UHFFFAOYSA-N
XLogP3.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (CID 118525994) is 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is Cc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1.
What is the InChIKey of 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The InChIKey is QDGLEHXHHDCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-9-14(7-8-21-12)18-22-11-17(25-18)13-5-6-15-16(10-13)23(4)19(24)20(15,2)3/h5-11H,1-4H3.
What are the key properties of 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is sourced from PubChem (CID 118525994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).