2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide

C18H17ClN2O4S — CID 20860470

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C18H17ClN2O4S/c1-12-16(21-18(25-12)13-4-6-14(19)7-5-13)10-26(23)11-17(22)20-9-15-3-2-8-24-15/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyONIHGGWXWACLAQ-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.46
Rot. Bonds7

About 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20860470) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20860470
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C18H17ClN2O4S/c1-12-16(21-18(25-12)13-4-6-14(19)7-5-13)10-26(23)11-17(22)20-9-15-3-2-8-24-15/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyONIHGGWXWACLAQ-UHFFFAOYSA-N
XLogP3.46
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (CID 20860470) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ONIHGGWXWACLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-16(21-18(25-12)13-4-6-14(19)7-5-13)10-26(23)11-17(22)20-9-15-3-2-8-24-15/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 392.86 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20860470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).