N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C17H22N2O3S2 — CID 3245395

IUPACN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C
InChIInChI=1S/C17H22N2O3S2/c1-12-15(10-24-11-16(20)18-8-9-21-2)19-17(22-12)13-4-6-14(23-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyOTPVLJJKRBOIJC-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.37
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 3245395) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID3245395
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C
InChIInChI=1S/C17H22N2O3S2/c1-12-15(10-24-11-16(20)18-8-9-21-2)19-17(22-12)13-4-6-14(23-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyOTPVLJJKRBOIJC-UHFFFAOYSA-N
XLogP3.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 3245395) is N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is COCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is OTPVLJJKRBOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-12-15(10-24-11-16(20)18-8-9-21-2)19-17(22-12)13-4-6-14(23-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 3245395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).