3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide

C13H16N2O2S2 — CID 18158466

IUPAC3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCSCc1ccsc1
InChIInChI=1S/C13H16N2O2S2/c1-9-12(10(2)17-15-9)13(16)14-4-6-19-8-11-3-5-18-7-11/h3,5,7H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyAPRLWERTZVDNIM-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.02
Rot. Bonds6

About 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 18158466) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID18158466
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCSCc1ccsc1
InChIInChI=1S/C13H16N2O2S2/c1-9-12(10(2)17-15-9)13(16)14-4-6-19-8-11-3-5-18-7-11/h3,5,7H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyAPRLWERTZVDNIM-UHFFFAOYSA-N
XLogP3.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9471951
5-methyl-3-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 9472032
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide
CID 24502026
N-(2-benzylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097230
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701
5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 24532861
1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide
CID 18288535
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 24502018
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide (CID 18158466) is 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCSCc1ccsc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is APRLWERTZVDNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-12(10(2)17-15-9)13(16)14-4-6-19-8-11-3-5-18-7-11/h3,5,7H,4,6,8H2,1-2H3,(H,14,16).
What are the key properties of 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18158466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).