5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one

C14H16N4O2 — CID 127614452

IUPAC5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCN(C)c1noc(-c2ccc3c(c2)C(C)(C)C(=O)N3)n1
InChIInChI=1S/C14H16N4O2/c1-14(2)9-7-8(5-6-10(9)15-12(14)19)11-16-13(17-20-11)18(3)4/h5-7H,1-4H3,(H,15,19)
InChIKeyXELFJFQYNYPAJK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.03
Rot. Bonds2

About 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one

5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 127614452) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
PubChem CID127614452
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCN(C)c1noc(-c2ccc3c(c2)C(C)(C)C(=O)N3)n1
InChIInChI=1S/C14H16N4O2/c1-14(2)9-7-8(5-6-10(9)15-12(14)19)11-16-13(17-20-11)18(3)4/h5-7H,1-4H3,(H,15,19)
InChIKeyXELFJFQYNYPAJK-UHFFFAOYSA-N
XLogP2.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one (CID 127614452) is 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one is CN(C)c1noc(-c2ccc3c(c2)C(C)(C)C(=O)N3)n1.
What is the InChIKey of 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is XELFJFQYNYPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(2)9-7-8(5-6-10(9)15-12(14)19)11-16-13(17-20-11)18(3)4/h5-7H,1-4H3,(H,15,19).
What are the key properties of 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one?
5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 127614452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).