N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide

C21H25F6N3O2 — CID 143903157

IUPACN-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CC(CNC2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=NO1
InChIInChI=1S/C21H25F6N3O2/c1-12-6-18(30-32-12)11-28-17-4-2-13(3-5-17)10-29-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,12-13,17,28H,2-6,10-11H2,1H3,(H,29,31)
InChIKeyXNPFZGPKMIASEY-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.77
Rot. Bonds6

About N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide

N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 143903157) has the molecular formula C21H25F6N3O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID143903157
Molecular FormulaC21H25F6N3O2
Molecular Weight465.44 g/mol
Exact Mass465.19
IUPAC NameN-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CC(CNC2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=NO1
InChIInChI=1S/C21H25F6N3O2/c1-12-6-18(30-32-12)11-28-17-4-2-13(3-5-17)10-29-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,12-13,17,28H,2-6,10-11H2,1H3,(H,29,31)
InChIKeyXNPFZGPKMIASEY-UHFFFAOYSA-N
XLogP4.77
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-[(2-hydroxyphenyl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 44539487
N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 70940266
N-[[4-[(2-fluoro-6-methylphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 67567467
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767618
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
3-fluoro-N-[[4-[(2-fluoro-3-pyridinyl)-methylamino]cyclohexyl]methyl]-5-(trifluoromethyl)benzamide
CID 68985577
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18286098

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide (CID 143903157) is N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide is CC1CC(CNC2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=NO1.
What is the InChIKey of N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XNPFZGPKMIASEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F6N3O2/c1-12-6-18(30-32-12)11-28-17-4-2-13(3-5-17)10-29-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,12-13,17,28H,2-6,10-11H2,1H3,(H,29,31).
What are the key properties of N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 465.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 143903157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).