N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide

C21H21N3O3S — CID 649560

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccno1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c25-20(23-15-7-4-5-8-15)19(18-11-6-14-28-18)24(16-9-2-1-3-10-16)21(26)17-12-13-22-27-17/h1-3,6,9-15,19H,4-5,7-8H2,(H,23,25)
InChIKeyCXTKLHMCUSIVIQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 649560) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID649560
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccno1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c25-20(23-15-7-4-5-8-15)19(18-11-6-14-28-18)24(16-9-2-1-3-10-16)21(26)17-12-13-22-27-17/h1-3,6,9-15,19H,4-5,7-8H2,(H,23,25)
InChIKeyCXTKLHMCUSIVIQ-UHFFFAOYSA-N
XLogP4.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide (CID 649560) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide is O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccno1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is CXTKLHMCUSIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-20(23-15-7-4-5-8-15)19(18-11-6-14-28-18)24(16-9-2-1-3-10-16)21(26)17-12-13-22-27-17/h1-3,6,9-15,19H,4-5,7-8H2,(H,23,25).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 649560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).