N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine

C16H19F2N3O — CID 174173622

IUPACN-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)c1nnc(NC2Cc3cc(F)c(F)cc3C2)o1
InChIInChI=1S/C16H19F2N3O/c1-3-4-9(2)15-20-21-16(22-15)19-12-5-10-7-13(17)14(18)8-11(10)6-12/h7-9,12H,3-6H2,1-2H3,(H,19,21)
InChIKeyCUNFLHNDAPKRCP-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.83
Rot. Bonds5

About N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine

N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 174173622) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID174173622
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC NameN-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)c1nnc(NC2Cc3cc(F)c(F)cc3C2)o1
InChIInChI=1S/C16H19F2N3O/c1-3-4-9(2)15-20-21-16(22-15)19-12-5-10-7-13(17)14(18)8-11(10)6-12/h7-9,12H,3-6H2,1-2H3,(H,19,21)
InChIKeyCUNFLHNDAPKRCP-UHFFFAOYSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine 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 N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine (CID 174173622) is N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine is CCCC(C)c1nnc(NC2Cc3cc(F)c(F)cc3C2)o1.
What is the InChIKey of N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is CUNFLHNDAPKRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-3-4-9(2)15-20-21-16(22-15)19-12-5-10-7-13(17)14(18)8-11(10)6-12/h7-9,12H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine?
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 307.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 174173622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).