2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

C26H32N4O4 — CID 42787300

IUPAC2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(=O)N(Cc1cccn1Cc1nc(C(=O)NC(C)c2ccccc2)co1)CC1CCCO1
InChIInChI=1S/C26H32N4O4/c1-3-25(31)30(16-22-12-8-14-33-22)15-21-11-7-13-29(21)17-24-28-23(18-34-24)26(32)27-19(2)20-9-5-4-6-10-20/h4-7,9-11,13,18-19,22H,3,8,12,14-17H2,1-2H3,(H,27,32)
InChIKeyQLPQLEUGPSHWEL-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.93
Rot. Bonds10

About 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42787300) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42787300
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(=O)N(Cc1cccn1Cc1nc(C(=O)NC(C)c2ccccc2)co1)CC1CCCO1
InChIInChI=1S/C26H32N4O4/c1-3-25(31)30(16-22-12-8-14-33-22)15-21-11-7-13-29(21)17-24-28-23(18-34-24)26(32)27-19(2)20-9-5-4-6-10-20/h4-7,9-11,13,18-19,22H,3,8,12,14-17H2,1-2H3,(H,27,32)
InChIKeyQLPQLEUGPSHWEL-UHFFFAOYSA-N
XLogP3.93
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-[[2-[[[(2S)-oxolan-2-yl]methyl-propanoylamino]methyl]pyrrol-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 7301666
N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4590268
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
2-[[(2-methylphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46001176
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787232
2-[[(2,3-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833696
2-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 42833530
2-[[(3,4-dichlorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 129423495
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46002523
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 129424157
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (CID 42787300) is 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is CCC(=O)N(Cc1cccn1Cc1nc(C(=O)NC(C)c2ccccc2)co1)CC1CCCO1.
What is the InChIKey of 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QLPQLEUGPSHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-3-25(31)30(16-22-12-8-14-33-22)15-21-11-7-13-29(21)17-24-28-23(18-34-24)26(32)27-19(2)20-9-5-4-6-10-20/h4-7,9-11,13,18-19,22H,3,8,12,14-17H2,1-2H3,(H,27,32).
What are the key properties of 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42787300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).