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

C30H36F3N3O — CID 162550082

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

N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine (PubChem CID 162550082) has the molecular formula C30H36F3N3O and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine
• PubChem CID: 162550082
• Molecular Formula: C30H36F3N3O
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.28
• IUPAC Name: N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1ncco1)CCC2
• InChI: InChI=1S/C30H36F3N3O/c1-3-35(18-22-7-4-5-8-22)28-17-25-10-6-9-24(25)16-26(28)20-36(29-34-11-12-37-29)19-23-13-21(2)14-27(15-23)30(31,32)33/h11-17,22H,3-10,18-20H2,1-2H3
• InChIKey: FKPOMNUHAYEKGI-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 32.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine (CID 162550082) is N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine.

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

The canonical SMILES for N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1ncco1)CCC2.

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

The InChIKey is FKPOMNUHAYEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O/c1-3-35(18-22-7-4-5-8-22)28-17-25-10-6-9-24(25)16-26(28)20-36(29-34-11-12-37-29)19-23-13-21(2)14-27(15-23)30(31,32)33/h11-17,22H,3-10,18-20H2,1-2H3.

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

N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine has a molecular weight of 511.63 g/mol, XLogP of 7.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 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]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 162550082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).