2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole

C22H24N6O — CID 155606108

IUPAC2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
SMILESc1ccc2c(CCCN3CCN(c4ncc(-c5ncco5)cn4)CC3)c[nH]c2c1
InChIInChI=1S/C22H24N6O/c1-2-6-20-19(5-1)17(14-24-20)4-3-8-27-9-11-28(12-10-27)22-25-15-18(16-26-22)21-23-7-13-29-21/h1-2,5-7,13-16,24H,3-4,8-12H2
InChIKeyZYCXJOKULLEVFT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole

2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole (PubChem CID 155606108) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
PubChem CID155606108
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
SMILESc1ccc2c(CCCN3CCN(c4ncc(-c5ncco5)cn4)CC3)c[nH]c2c1
InChIInChI=1S/C22H24N6O/c1-2-6-20-19(5-1)17(14-24-20)4-3-8-27-9-11-28(12-10-27)22-25-15-18(16-26-22)21-23-7-13-29-21/h1-2,5-7,13-16,24H,3-4,8-12H2
InChIKeyZYCXJOKULLEVFT-UHFFFAOYSA-N
XLogP3.37
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
CID 135178455
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 11567753
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole
CID 68837148
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole?
The IUPAC name of 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole (CID 155606108) is 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole is c1ccc2c(CCCN3CCN(c4ncc(-c5ncco5)cn4)CC3)c[nH]c2c1.
What is the InChIKey of 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole?
The InChIKey is ZYCXJOKULLEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-6-20-19(5-1)17(14-24-20)4-3-8-27-9-11-28(12-10-27)22-25-15-18(16-26-22)21-23-7-13-29-21/h1-2,5-7,13-16,24H,3-4,8-12H2.
What are the key properties of 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole?
2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole has a molecular weight of 388.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole is sourced from PubChem (CID 155606108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).