2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C27H27N5O2S — CID 42833164

IUPAC2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccs2)n1
InChIInChI=1S/C27H27N5O2S/c33-27(29-13-10-21-6-3-4-12-28-21)25-19-34-26(31-25)18-32(17-22-7-5-15-35-22)14-11-20-16-30-24-9-2-1-8-23(20)24/h1-9,12,15-16,19,30H,10-11,13-14,17-18H2,(H,29,33)
InChIKeyKSBFHIYGGFPWAV-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.83
Rot. Bonds11

About 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42833164) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42833164
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccs2)n1
InChIInChI=1S/C27H27N5O2S/c33-27(29-13-10-21-6-3-4-12-28-21)25-19-34-26(31-25)18-32(17-22-7-5-15-35-22)14-11-20-16-30-24-9-2-1-8-23(20)24/h1-9,12,15-16,19,30H,10-11,13-14,17-18H2,(H,29,33)
InChIKeyKSBFHIYGGFPWAV-UHFFFAOYSA-N
XLogP4.83
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833048
N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833751
N-[(4-fluorophenyl)methyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833750
2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 142579570
2-[[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46000113
N-[(2R)-butan-2-yl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157211
2-[[furan-2-ylmethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42829521
N-cyclopropyl-2-[[furan-3-ylmethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833753
N-[(4-fluorophenyl)methyl]-2-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46000428
2-[[(4-fluorophenyl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 46000392
2-[[(2-chlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93155295
2-[[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156737

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42833164) is 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccn1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccs2)n1.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KSBFHIYGGFPWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c33-27(29-13-10-21-6-3-4-12-28-21)25-19-34-26(31-25)18-32(17-22-7-5-15-35-22)14-11-20-16-30-24-9-2-1-8-23(20)24/h1-9,12,15-16,19,30H,10-11,13-14,17-18H2,(H,29,33).
What are the key properties of 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).