N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide

C23H31N5O2 — CID 118279423

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)o1
InChIInChI=1S/C23H31N5O2/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)
InChIKeyWISCBBHTHYFJCN-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.44
Rot. Bonds8

About N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 118279423) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
PubChem CID118279423
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)o1
InChIInChI=1S/C23H31N5O2/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)
InChIKeyWISCBBHTHYFJCN-UHFFFAOYSA-N
XLogP3.44
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide (CID 118279423) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)o1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is WISCBBHTHYFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118279423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).