[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

C19H14Cl2N2O2 — CID 1160933

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H14Cl2N2O2/c1-11-16(18(22-25-11)17-13(20)6-4-7-14(17)21)19(24)23-10-9-12-5-2-3-8-15(12)23/h2-8H,9-10H2,1H3
InChIKeyHYBWCNFLCICORI-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.16
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 1160933) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID1160933
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H14Cl2N2O2/c1-11-16(18(22-25-11)17-13(20)6-4-7-14(17)21)19(24)23-10-9-12-5-2-3-8-15(12)23/h2-8H,9-10H2,1H3
InChIKeyHYBWCNFLCICORI-UHFFFAOYSA-N
XLogP5.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 1160933) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HYBWCNFLCICORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-11-16(18(22-25-11)17-13(20)6-4-7-14(17)21)19(24)23-10-9-12-5-2-3-8-15(12)23/h2-8H,9-10H2,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 373.24 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 1160933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).