N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine

C30H37F3N4O — CID 162550085

About N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine

N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 162550085) has the molecular formula C30H37F3N4O and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

• Compound Name: N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine
• PubChem CID: 162550085
• Molecular Formula: C30H37F3N4O
• Molecular Weight: 526.65 g/mol
• Exact Mass: 526.29
• IUPAC Name: N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1noc(C)n1)CCC2
• InChI: InChI=1S/C30H37F3N4O/c1-4-36(17-22-8-5-6-9-22)28-16-25-11-7-10-24(25)15-26(28)19-37(29-34-21(3)38-35-29)18-23-12-20(2)13-27(14-23)30(31,32)33/h12-16,22H,4-11,17-19H2,1-3H3
• InChIKey: OMUOKBCBXGZLGP-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine?

The IUPAC name of N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine (CID 162550085) is N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine.

What is the SMILES notation for N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine?

The canonical SMILES for N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1noc(C)n1)CCC2.

What is the InChIKey of N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine?

The InChIKey is OMUOKBCBXGZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N4O/c1-4-36(17-22-8-5-6-9-22)28-16-25-11-7-10-24(25)15-26(28)19-37(29-34-21(3)38-35-29)18-23-12-20(2)13-27(14-23)30(31,32)33/h12-16,22H,4-11,17-19H2,1-3H3.

What are the key properties of N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine?

N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 526.65 g/mol, XLogP of 7.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 162550085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).