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

C25H26ClN3O2 — CID 3240893

IUPAC[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C25H26ClN3O2/c1-17-22(27-24(31-17)19-8-10-21(26)11-9-19)16-28-13-4-6-20(15-28)25(30)29-14-12-18-5-2-3-7-23(18)29/h2-3,5,7-11,20H,4,6,12-16H2,1H3
InChIKeyHRXOXIXMSYNCRK-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.10
Rot. Bonds4

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

[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 3240893) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID3240893
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C25H26ClN3O2/c1-17-22(27-24(31-17)19-8-10-21(26)11-9-19)16-28-13-4-6-20(15-28)25(30)29-14-12-18-5-2-3-7-23(18)29/h2-3,5,7-11,20H,4,6,12-16H2,1H3
InChIKeyHRXOXIXMSYNCRK-UHFFFAOYSA-N
XLogP5.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 3240893) is [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HRXOXIXMSYNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-17-22(27-24(31-17)19-8-10-21(26)11-9-19)16-28-13-4-6-20(15-28)25(30)29-14-12-18-5-2-3-7-23(18)29/h2-3,5,7-11,20H,4,6,12-16H2,1H3.
What are the key properties of [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 435.96 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3240893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).