N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C12H20N2O2S — CID 71989392

IUPACN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1cc(C)on1
InChIInChI=1S/C12H20N2O2S/c1-5-17-7-6-9(2)14(4)12(15)11-8-10(3)16-13-11/h8-9H,5-7H2,1-4H3
InChIKeyVISKYWOYKCEVCT-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.59
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 71989392) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID71989392
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1cc(C)on1
InChIInChI=1S/C12H20N2O2S/c1-5-17-7-6-9(2)14(4)12(15)11-8-10(3)16-13-11/h8-9H,5-7H2,1-4H3
InChIKeyVISKYWOYKCEVCT-UHFFFAOYSA-N
XLogP2.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 71989392) is N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is CCSCCC(C)N(C)C(=O)c1cc(C)on1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is VISKYWOYKCEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-17-7-6-9(2)14(4)12(15)11-8-10(3)16-13-11/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71989392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).