3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide

C10H12F3N7O2 — CID 118769952

IUPAC3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCc1nnnn1CCC(=O)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7O2/c1-6-16-18-19-20(6)5-3-8(21)14-4-2-7-15-9(22-17-7)10(11,12)13/h2-5H2,1H3,(H,14,21)
InChIKeyRTUUKVPJNLXVFF-UHFFFAOYSA-N
MW319.25 g/mol
LogP0.13
Rot. Bonds6

About 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide

3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (PubChem CID 118769952) has the molecular formula C10H12F3N7O2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
PubChem CID118769952
Molecular FormulaC10H12F3N7O2
Molecular Weight319.25 g/mol
Exact Mass319.10
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCc1nnnn1CCC(=O)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7O2/c1-6-16-18-19-20(6)5-3-8(21)14-4-2-7-15-9(22-17-7)10(11,12)13/h2-5H2,1H3,(H,14,21)
InChIKeyRTUUKVPJNLXVFF-UHFFFAOYSA-N
XLogP0.13
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (CID 118769952) is 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is Cc1nnnn1CCC(=O)NCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The InChIKey is RTUUKVPJNLXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7O2/c1-6-16-18-19-20(6)5-3-8(21)14-4-2-7-15-9(22-17-7)10(11,12)13/h2-5H2,1H3,(H,14,21).
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide has a molecular weight of 319.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 118769952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).