N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide

C12H18N2O2S — CID 47170121

IUPACN-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCSC2CCCC2)no1
InChIInChI=1S/C12H18N2O2S/c1-9-8-11(14-16-9)12(15)13-6-7-17-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyBJBVAJMIFJMALB-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.39
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 47170121) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID47170121
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCSC2CCCC2)no1
InChIInChI=1S/C12H18N2O2S/c1-9-8-11(14-16-9)12(15)13-6-7-17-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyBJBVAJMIFJMALB-UHFFFAOYSA-N
XLogP2.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 47170121) is N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCSC2CCCC2)no1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BJBVAJMIFJMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-11(14-16-9)12(15)13-6-7-17-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).