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

C12H16F3N3O2 — CID 75526034

IUPACN-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
SMILESCC(=O)NC1(c2noc(C(F)(F)F)n2)CCCCCC1
InChIInChI=1S/C12H16F3N3O2/c1-8(19)17-11(6-4-2-3-5-7-11)9-16-10(20-18-9)12(13,14)15/h2-7H2,1H3,(H,17,19)
InChIKeyBDMDJJPCCGAMHR-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.77
Rot. Bonds2

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

N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide (PubChem CID 75526034) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
PubChem CID75526034
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
SMILESCC(=O)NC1(c2noc(C(F)(F)F)n2)CCCCCC1
InChIInChI=1S/C12H16F3N3O2/c1-8(19)17-11(6-4-2-3-5-7-11)9-16-10(20-18-9)12(13,14)15/h2-7H2,1H3,(H,17,19)
InChIKeyBDMDJJPCCGAMHR-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide (CID 75526034) is N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide is CC(=O)NC1(c2noc(C(F)(F)F)n2)CCCCCC1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide?
The InChIKey is BDMDJJPCCGAMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8(19)17-11(6-4-2-3-5-7-11)9-16-10(20-18-9)12(13,14)15/h2-7H2,1H3,(H,17,19).
What are the key properties of N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide?
N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide is sourced from PubChem (CID 75526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).