2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C17H16FN3O3S — CID 9394906

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H16FN3O3S/c1-11-7-8-25-14(11)9-20(2)15(22)10-21-17(23)24-16(19-21)12-3-5-13(18)6-4-12/h3-8H,9-10H2,1-2H3
InChIKeySKQGULPTXDSSCV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.67
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 9394906) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID9394906
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H16FN3O3S/c1-11-7-8-25-14(11)9-20(2)15(22)10-21-17(23)24-16(19-21)12-3-5-13(18)6-4-12/h3-8H,9-10H2,1-2H3
InChIKeySKQGULPTXDSSCV-UHFFFAOYSA-N
XLogP2.67
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 9394906) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is SKQGULPTXDSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11-7-8-25-14(11)9-20(2)15(22)10-21-17(23)24-16(19-21)12-3-5-13(18)6-4-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 9394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).