3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

C24H27N3O — CID 20523258

IUPAC3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ccc2[nH]cc(CCCN3CCC(c4noc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H27N3O/c1-17-8-9-22-21(15-17)19(16-25-22)5-4-12-27-13-10-18(11-14-27)24-20-6-2-3-7-23(20)28-26-24/h2-3,6-9,15-16,18,25H,4-5,10-14H2,1H3
InChIKeyFVIRIGZISDFHGC-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.43
Rot. Bonds5

About 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 20523258) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID20523258
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ccc2[nH]cc(CCCN3CCC(c4noc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H27N3O/c1-17-8-9-22-21(15-17)19(16-25-22)5-4-12-27-13-10-18(11-14-27)24-20-6-2-3-7-23(20)28-26-24/h2-3,6-9,15-16,18,25H,4-5,10-14H2,1H3
InChIKeyFVIRIGZISDFHGC-UHFFFAOYSA-N
XLogP5.43
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (CID 20523258) is 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is Cc1ccc2[nH]cc(CCCN3CCC(c4noc5ccccc45)CC3)c2c1.
What is the InChIKey of 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is FVIRIGZISDFHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-8-9-22-21(15-17)19(16-25-22)5-4-12-27-13-10-18(11-14-27)24-20-6-2-3-7-23(20)28-26-24/h2-3,6-9,15-16,18,25H,4-5,10-14H2,1H3.
What are the key properties of 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 373.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(5-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 20523258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).