N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

C18H18FN3O4S — CID 12005886

IUPACN'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1OCCN1C(=O)c1cccs1
InChIInChI=1S/C18H18FN3O4S/c19-13-5-3-12(4-6-13)10-20-16(23)17(24)21-11-15-22(7-8-26-15)18(25)14-2-1-9-27-14/h1-6,9,15H,7-8,10-11H2,(H,20,23)(H,21,24)
InChIKeyNXPZWDVKRYGVPS-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.12
Rot. Bonds5

About N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 12005886) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID12005886
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1OCCN1C(=O)c1cccs1
InChIInChI=1S/C18H18FN3O4S/c19-13-5-3-12(4-6-13)10-20-16(23)17(24)21-11-15-22(7-8-26-15)18(25)14-2-1-9-27-14/h1-6,9,15H,7-8,10-11H2,(H,20,23)(H,21,24)
InChIKeyNXPZWDVKRYGVPS-UHFFFAOYSA-N
XLogP1.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (CID 12005886) is N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1OCCN1C(=O)c1cccs1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is NXPZWDVKRYGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-13-5-3-12(4-6-13)10-20-16(23)17(24)21-11-15-22(7-8-26-15)18(25)14-2-1-9-27-14/h1-6,9,15H,7-8,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 391.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 12005886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).