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

C16H13F2N3O2S — CID 52906381

IUPACN-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C16H13F2N3O2S/c1-9-2-3-24-15(9)16-21-20-14(23-16)7-13(22)19-8-10-4-11(17)6-12(18)5-10/h2-6H,7-8H2,1H3,(H,19,22)
InChIKeyRHGIALQYSHUGOY-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.24
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52906381) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52906381
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C16H13F2N3O2S/c1-9-2-3-24-15(9)16-21-20-14(23-16)7-13(22)19-8-10-4-11(17)6-12(18)5-10/h2-6H,7-8H2,1H3,(H,19,22)
InChIKeyRHGIALQYSHUGOY-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52906381) is N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)NCc2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RHGIALQYSHUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-9-2-3-24-15(9)16-21-20-14(23-16)7-13(22)19-8-10-4-11(17)6-12(18)5-10/h2-6H,7-8H2,1H3,(H,19,22).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52906381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).