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

C15H18N2O2S — CID 46440611

IUPAC3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-9(12-5-7-13(20-4)8-6-12)16-15(18)14-10(2)17-19-11(14)3/h5-9H,1-4H3,(H,16,18)
InChIKeyRWPJARYZNIOGGO-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.50
Rot. Bonds4

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

3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 46440611) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID46440611
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-9(12-5-7-13(20-4)8-6-12)16-15(18)14-10(2)17-19-11(14)3/h5-9H,1-4H3,(H,16,18)
InChIKeyRWPJARYZNIOGGO-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
methyl (3R)-3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-(4-methylsulfanylphenyl)propanoate
CID 95298795
2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
CID 46432738
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75461339

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 46440611) is 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide is CSc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RWPJARYZNIOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9(12-5-7-13(20-4)8-6-12)16-15(18)14-10(2)17-19-11(14)3/h5-9H,1-4H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46440611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).