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

C32H38F6N4O4 — CID 87792293

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid (PubChem CID 87792293) has the molecular formula C32H38F6N4O4 and a molecular weight of 656.67 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid
• PubChem CID: 87792293
• Molecular Formula: C32H38F6N4O4
• Molecular Weight: 656.67 g/mol
• Exact Mass: 656.28
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid
• SMILES: CCN(CC1CCCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1noc(C)n1)CCC2.O=C(O)O
• InChI: InChI=1S/C31H36F6N4O.CH2O3/c1-3-40(17-21-8-5-4-6-9-21)28-15-24-11-7-10-23(24)14-25(28)19-41(29-38-20(2)42-39-29)18-22-12-26(30(32,33)34)16-27(13-22)31(35,36)37;2-1(3)4/h12-16,21H,3-11,17-19H2,1-2H3;(H2,2,3,4)
• InChIKey: RZUSBXJFKLEQOM-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 102.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.67
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid (CID 87792293) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid.

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

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid is CCN(CC1CCCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1noc(C)n1)CCC2.O=C(O)O.

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

The InChIKey is RZUSBXJFKLEQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F6N4O.CH2O3/c1-3-40(17-21-8-5-4-6-9-21)28-15-24-11-7-10-23(24)14-25(28)19-41(29-38-20(2)42-39-29)18-22-12-26(30(32,33)34)16-27(13-22)31(35,36)37;2-1(3)4/h12-16,21H,3-11,17-19H2,1-2H3;(H2,2,3,4).

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid has a molecular weight of 656.67 g/mol, XLogP of 8.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclohexylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,2,4-oxadiazol-3-amine;carbonic acid is sourced from PubChem (CID 87792293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).