N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

C15H18N2O2S — CID 49082852

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-14(7-5-10)20-12(3)15(18)16-9-13-8-11(2)17-19-13/h4-8,12H,9H2,1-3H3,(H,16,18)
InChIKeyZZBOEQHGBVKMCK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.09
Rot. Bonds5

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 49082852) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID49082852
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-14(7-5-10)20-12(3)15(18)16-9-13-8-11(2)17-19-13/h4-8,12H,9H2,1-3H3,(H,16,18)
InChIKeyZZBOEQHGBVKMCK-UHFFFAOYSA-N
XLogP3.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]furan-2-carboxamide
CID 131938378
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9142237
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 94002916
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 49082852) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NCc2cc(C)no2)cc1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is ZZBOEQHGBVKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-6-14(7-5-10)20-12(3)15(18)16-9-13-8-11(2)17-19-13/h4-8,12H,9H2,1-3H3,(H,16,18).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 49082852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).