5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C25H35N3O3 — CID 23738652

IUPAC5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)CCC2CCCC2)on1
InChIInChI=1S/C25H35N3O3/c1-19(2)17-26-25(30)23-16-22(31-27-23)18-28(15-14-21-8-4-3-5-9-21)24(29)13-12-20-10-6-7-11-20/h3-5,8-9,16,19-20H,6-7,10-15,17-18H2,1-2H3,(H,26,30)
InChIKeyHTFYTEWVVOQTQZ-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.60
Rot. Bonds11

About 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23738652) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23738652
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)CCC2CCCC2)on1
InChIInChI=1S/C25H35N3O3/c1-19(2)17-26-25(30)23-16-22(31-27-23)18-28(15-14-21-8-4-3-5-9-21)24(29)13-12-20-10-6-7-11-20/h3-5,8-9,16,19-20H,6-7,10-15,17-18H2,1-2H3,(H,26,30)
InChIKeyHTFYTEWVVOQTQZ-UHFFFAOYSA-N
XLogP4.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23770266
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23768647
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
5-[(cyclohexylamino)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23732152
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807

Frequently Asked Questions

What is the IUPAC name of 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23738652) is 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)CCC2CCCC2)on1.
What is the InChIKey of 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HTFYTEWVVOQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-19(2)17-26-25(30)23-16-22(31-27-23)18-28(15-14-21-8-4-3-5-9-21)24(29)13-12-20-10-6-7-11-20/h3-5,8-9,16,19-20H,6-7,10-15,17-18H2,1-2H3,(H,26,30).
What are the key properties of 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23738652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).