5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C20H27N3O3S — CID 23741982

IUPAC5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(Cc2cccs2)C(=O)C2CCCC2)on1
InChIInChI=1S/C20H27N3O3S/c1-14(2)11-21-19(24)18-10-16(26-22-18)12-23(13-17-8-5-9-27-17)20(25)15-6-3-4-7-15/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,21,24)
InChIKeyBUMJEDUMUOSLKU-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.84
Rot. Bonds8

About 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23741982) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23741982
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(Cc2cccs2)C(=O)C2CCCC2)on1
InChIInChI=1S/C20H27N3O3S/c1-14(2)11-21-19(24)18-10-16(26-22-18)12-23(13-17-8-5-9-27-17)20(25)15-6-3-4-7-15/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,21,24)
InChIKeyBUMJEDUMUOSLKU-UHFFFAOYSA-N
XLogP3.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23822532
5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23735039
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
5-[(cyclohexylamino)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23732152
5-[[cyclopentanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23938870
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23934866
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23741982) is 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(CN(Cc2cccs2)C(=O)C2CCCC2)on1.
What is the InChIKey of 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BUMJEDUMUOSLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14(2)11-21-19(24)18-10-16(26-22-18)12-23(13-17-8-5-9-27-17)20(25)15-6-3-4-7-15/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,21,24).
What are the key properties of 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23741982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).