N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide

C18H25N3O4S — CID 3831963

IUPACN-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
SMILESCCCCC1COC(=O)N1C1CCN(C(=S)NC(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4S/c1-2-3-5-14-12-25-18(23)21(14)13-7-9-20(10-8-13)17(26)19-16(22)15-6-4-11-24-15/h4,6,11,13-14H,2-3,5,7-10,12H2,1H3,(H,19,22,26)
InChIKeySFLATTZUMJXHMG-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.77
Rot. Bonds5

About N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide

N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide (PubChem CID 3831963) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
PubChem CID3831963
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
SMILESCCCCC1COC(=O)N1C1CCN(C(=S)NC(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4S/c1-2-3-5-14-12-25-18(23)21(14)13-7-9-20(10-8-13)17(26)19-16(22)15-6-4-11-24-15/h4,6,11,13-14H,2-3,5,7-10,12H2,1H3,(H,19,22,26)
InChIKeySFLATTZUMJXHMG-UHFFFAOYSA-N
XLogP2.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
CID 3384869
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 5158542
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 23879688
4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23819407
ethyl 4-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate
CID 3861830
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
4-(4-butan-2-yl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-1-carbothioamide
CID 4994095
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide (CID 3831963) is N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide is CCCCC1COC(=O)N1C1CCN(C(=S)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide?
The InChIKey is SFLATTZUMJXHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-2-3-5-14-12-25-18(23)21(14)13-7-9-20(10-8-13)17(26)19-16(22)15-6-4-11-24-15/h4,6,11,13-14H,2-3,5,7-10,12H2,1H3,(H,19,22,26).
What are the key properties of N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide?
N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide is sourced from PubChem (CID 3831963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).