3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

C18H16N2O3 — CID 5005195

IUPAC3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N2O3/c1-12-10-13-6-2-3-7-14(13)20(12)17(21)11-19-15-8-4-5-9-16(15)23-18(19)22/h2-9,12H,10-11H2,1H3
InChIKeyYYMPNSBFODTVKG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.57
Rot. Bonds2

About 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 5005195) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID5005195
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N2O3/c1-12-10-13-6-2-3-7-14(13)20(12)17(21)11-19-15-8-4-5-9-16(15)23-18(19)22/h2-9,12H,10-11H2,1H3
InChIKeyYYMPNSBFODTVKG-UHFFFAOYSA-N
XLogP2.57
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (CID 5005195) is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is YYMPNSBFODTVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-10-13-6-2-3-7-14(13)20(12)17(21)11-19-15-8-4-5-9-16(15)23-18(19)22/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 5005195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).