5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one

C12H11N3O2 — CID 116832496

IUPAC5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
SMILESCNc1nc(-c2ccc3c(c2)CC(=O)N3)co1
InChIInChI=1S/C12H11N3O2/c1-13-12-15-10(6-17-12)7-2-3-9-8(4-7)5-11(16)14-9/h2-4,6H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPRXLCEQSIROAQP-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.88
Rot. Bonds2

About 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one

5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 116832496) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID116832496
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
SMILESCNc1nc(-c2ccc3c(c2)CC(=O)N3)co1
InChIInChI=1S/C12H11N3O2/c1-13-12-15-10(6-17-12)7-2-3-9-8(4-7)5-11(16)14-9/h2-4,6H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPRXLCEQSIROAQP-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832476
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
N-methyl-4-phenyl-1,3-oxazol-2-amine
CID 71648010
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one (CID 116832496) is 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one is CNc1nc(-c2ccc3c(c2)CC(=O)N3)co1.
What is the InChIKey of 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is PRXLCEQSIROAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-13-12-15-10(6-17-12)7-2-3-9-8(4-7)5-11(16)14-9/h2-4,6H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 229.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116832496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).