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

C16H21N3O2S — CID 53162116

IUPACN-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C16H21N3O2S/c1-11-8-9-22-15(11)16-19-18-14(21-16)10-13(20)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,20)
InChIKeyUBAGFRQWWOEEIY-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.49
Rot. Bonds4

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

N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 53162116) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID53162116
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C16H21N3O2S/c1-11-8-9-22-15(11)16-19-18-14(21-16)10-13(20)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,20)
InChIKeyUBAGFRQWWOEEIY-UHFFFAOYSA-N
XLogP3.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 53162116) is N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)NC2CCCCCC2)o1.
What is the InChIKey of N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UBAGFRQWWOEEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-8-9-22-15(11)16-19-18-14(21-16)10-13(20)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,20).
What are the key properties of N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 53162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).