cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol

C18H23F3N2O2 — CID 167275276

IUPACcis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc([C@@H](C)N[C@@H]3CCC[C@@H]3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-9(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)10(3)22-13-5-4-6-15(13)24/h7-10,13,15,22,24H,4-6H2,1-3H3/t10-,13-,15+/m1/s1
InChIKeyZJEODUDMOSNHGY-YVLXSGLVSA-N
MW356.39 g/mol
LogP4.53
Rot. Bonds4

About cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol

cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol (PubChem CID 167275276) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
PubChem CID167275276
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Namecis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc([C@@H](C)N[C@@H]3CCC[C@@H]3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-9(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)10(3)22-13-5-4-6-15(13)24/h7-10,13,15,22,24H,4-6H2,1-3H3/t10-,13-,15+/m1/s1
InChIKeyZJEODUDMOSNHGY-YVLXSGLVSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol with MolForge

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Related Compounds

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
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
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
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
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
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
CID 115891348
[(1-hydroxycyclobutyl)methylamino]-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanediol
CID 166557943

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol (CID 167275276) is cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol is CC(C)c1nc2cc([C@@H](C)N[C@@H]3CCC[C@@H]3O)cc(C(F)(F)F)c2o1.
What is the InChIKey of cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol?
The InChIKey is ZJEODUDMOSNHGY-YVLXSGLVSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-9(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)10(3)22-13-5-4-6-15(13)24/h7-10,13,15,22,24H,4-6H2,1-3H3/t10-,13-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol?
cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol has a molecular weight of 356.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 167275276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).