trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol

C18H23F3N2O2 — CID 166556290

IUPACtrans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCC(C)c1nc2cc(CN[C@H]3CCCC[C@@H]3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3/t13-,15-/m0/s1
InChIKeyOAFPRRJDLPWVRY-ZFWWWQNUSA-N
MW356.39 g/mol
LogP4.36
Rot. Bonds4

About trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol (PubChem CID 166556290) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
PubChem CID166556290
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Nametrans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCC(C)c1nc2cc(CN[C@H]3CCCC[C@@H]3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3/t13-,15-/m0/s1
InChIKeyOAFPRRJDLPWVRY-ZFWWWQNUSA-N
XLogP4.36
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556677
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
CID 167275276
2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166556863
azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
CID 166556824
oxolane;[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanamine
CID 166557567
5-[[(3aR,6aS)-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-3-yl]methyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazole
CID 176752704
cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167274613
cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557412

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol (CID 166556290) is trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol is CC(C)c1nc2cc(CN[C@H]3CCCC[C@@H]3O)cc(C(F)(F)F)c2o1.
What is the InChIKey of trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The InChIKey is OAFPRRJDLPWVRY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol has a molecular weight of 356.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 166556290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).