[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

C19H21N3O2 — CID 68771708

IUPAC[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESCC(c1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ncco2)CC1
InChIInChI=1S/C19H21N3O2/c1-13(15-2-3-17-16(12-15)4-7-20-17)22-9-5-14(6-10-22)18(23)19-21-8-11-24-19/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3
InChIKeyXXWQOWCNECZZCW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.81
Rot. Bonds4

About [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 68771708) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID68771708
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESCC(c1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ncco2)CC1
InChIInChI=1S/C19H21N3O2/c1-13(15-2-3-17-16(12-15)4-7-20-17)22-9-5-14(6-10-22)18(23)19-21-8-11-24-19/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3
InChIKeyXXWQOWCNECZZCW-UHFFFAOYSA-N
XLogP3.81
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone with MolForge

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Related Compounds

N-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1H-indole-2-carboxamide
CID 44350642
N-[7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-indole-2-carboxamide
CID 44350643
US10660877, Example 700
CID 134329934
US10660877, Example 449
CID 134329386
US10660877, Example 699
CID 134330103
4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole
CID 45278401
6-(1H-indol-5-ylmethyl)-N-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134805216
(2R)-2-(1-methylindol-3-yl)-N-[(2-propyl-1,3-oxazol-5-yl)methyl]propanamide
CID 164638335
2-[[(3R)-3-(1H-indol-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 177659748
5-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-oxazole
CID 177664069
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
CID 166585819
tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate
CID 11370849

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (CID 68771708) is [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is CC(c1ccc2[nH]ccc2c1)N1CCC(C(=O)c2ncco2)CC1.
What is the InChIKey of [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is XXWQOWCNECZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(15-2-3-17-16(12-15)4-7-20-17)22-9-5-14(6-10-22)18(23)19-21-8-11-24-19/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3.
What are the key properties of [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 68771708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).