N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

C20H16FN5O3S — CID 50809759

IUPACN-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN5O3S/c21-14-6-8-15(9-7-14)22-17(27)10-11-18-23-16(26-29-18)12-30-20-25-24-19(28-20)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27)
InChIKeyYTUGPOWFJFROCM-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.12
Rot. Bonds8

About N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50809759) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50809759
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN5O3S/c21-14-6-8-15(9-7-14)22-17(27)10-11-18-23-16(26-29-18)12-30-20-25-24-19(28-20)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27)
InChIKeyYTUGPOWFJFROCM-UHFFFAOYSA-N
XLogP4.12
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 50809759) is N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YTUGPOWFJFROCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c21-14-6-8-15(9-7-14)22-17(27)10-11-18-23-16(26-29-18)12-30-20-25-24-19(28-20)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 425.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50809759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).