N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide

C15H18N2O2S — CID 74247897

IUPACN,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(SCCN(C)C(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-13(7-5-11)20-9-8-17(3)15(18)14-12(2)19-10-16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyYFPNTQAKKMYHMJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.16
Rot. Bonds5

About N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide

N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 74247897) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide
PubChem CID74247897
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(SCCN(C)C(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-13(7-5-11)20-9-8-17(3)15(18)14-12(2)19-10-16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyYFPNTQAKKMYHMJ-UHFFFAOYSA-N
XLogP3.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide (CID 74247897) is N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide is Cc1ccc(SCCN(C)C(=O)c2ncoc2C)cc1.
What is the InChIKey of N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YFPNTQAKKMYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-6-13(7-5-11)20-9-8-17(3)15(18)14-12(2)19-10-16-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide?
N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74247897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).