2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide

C16H20N2O4S — CID 56827552

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)Cc1c(C)noc1C
InChIInChI=1S/C16H20N2O4S/c1-10-13(11(2)22-18-10)9-23(20)12(3)16(19)17-14-7-5-6-8-15(14)21-4/h5-8,12H,9H2,1-4H3,(H,17,19)
InChIKeyWGWIXSCRUKSEJK-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.58
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 56827552) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
PubChem CID56827552
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)Cc1c(C)noc1C
InChIInChI=1S/C16H20N2O4S/c1-10-13(11(2)22-18-10)9-23(20)12(3)16(19)17-14-7-5-6-8-15(14)21-4/h5-8,12H,9H2,1-4H3,(H,17,19)
InChIKeyWGWIXSCRUKSEJK-UHFFFAOYSA-N
XLogP2.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24983229
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177459
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate
CID 55420787
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide (CID 56827552) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)S(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is WGWIXSCRUKSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-13(11(2)22-18-10)9-23(20)12(3)16(19)17-14-7-5-6-8-15(14)21-4/h5-8,12H,9H2,1-4H3,(H,17,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 56827552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).