2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide

C16H20N2O3S — CID 38640450

IUPAC2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O3S/c1-3-8-17-15(19)11-22-10-13-9-21-16(18-13)12-4-6-14(20-2)7-5-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,19)
InChIKeyZGNLGUXSEAOZTC-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.11
Rot. Bonds8

About 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide

2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide (PubChem CID 38640450) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
PubChem CID38640450
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O3S/c1-3-8-17-15(19)11-22-10-13-9-21-16(18-13)12-4-6-14(20-2)7-5-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,19)
InChIKeyZGNLGUXSEAOZTC-UHFFFAOYSA-N
XLogP3.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 38640468
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 38640368
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
N-[1-(4-chlorophenyl)ethyl]-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 78850949
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-prop-2-enylacetamide
CID 38639607
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 4638993
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide (CID 38640450) is 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide is CCCNC(=O)CSCc1coc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide?
The InChIKey is ZGNLGUXSEAOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-8-17-15(19)11-22-10-13-9-21-16(18-13)12-4-6-14(20-2)7-5-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide?
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide has a molecular weight of 320.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide is sourced from PubChem (CID 38640450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).