N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H12FN3O3S — CID 46266264

IUPACN-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FN3O3S/c1-9-12(6-7-21-9)14-18-19-15(22-14)23-8-13(20)17-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeySPRZDINXCWYUTR-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.51
Rot. Bonds5

About N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46266264) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID46266264
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC NameN-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FN3O3S/c1-9-12(6-7-21-9)14-18-19-15(22-14)23-8-13(20)17-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeySPRZDINXCWYUTR-UHFFFAOYSA-N
XLogP3.51
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 46266264) is N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is SPRZDINXCWYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-9-12(6-7-21-9)14-18-19-15(22-14)23-8-13(20)17-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).