3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide

C12H14N2O2S2 — CID 2740429

IUPAC3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2c(C)noc2C)s1
InChIInChI=1S/C12H14N2O2S2/c1-7-11(8(2)16-14-7)12(15)13-6-9-4-5-10(17-3)18-9/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyLDEWAVCZLXNVMN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.00
Rot. Bonds4

About 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 2740429) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID2740429
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2c(C)noc2C)s1
InChIInChI=1S/C12H14N2O2S2/c1-7-11(8(2)16-14-7)12(15)13-6-9-4-5-10(17-3)18-9/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyLDEWAVCZLXNVMN-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 2740429) is 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide is CSc1ccc(CNC(=O)c2c(C)noc2C)s1.
What is the InChIKey of 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is LDEWAVCZLXNVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-7-11(8(2)16-14-7)12(15)13-6-9-4-5-10(17-3)18-9/h4-5H,6H2,1-3H3,(H,13,15).
What are the key properties of 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methylsulfanylthiophen-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2740429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).