trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol

C17H22F2N2O2 — CID 167274608

IUPACtrans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CN(C)[C@@H]3CCC[C@H]3O)c(F)c(F)c2o1
InChIInChI=1S/C17H22F2N2O2/c1-9(2)17-20-11-7-10(14(18)15(19)16(11)23-17)8-21(3)12-5-4-6-13(12)22/h7,9,12-13,22H,4-6,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyCQVXSBIHXXTHME-CHWSQXEVSA-N
MW324.37 g/mol
LogP3.57
Rot. Bonds4

About trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol (PubChem CID 167274608) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol
PubChem CID167274608
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Nametrans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CN(C)[C@@H]3CCC[C@H]3O)c(F)c(F)c2o1
InChIInChI=1S/C17H22F2N2O2/c1-9(2)17-20-11-7-10(14(18)15(19)16(11)23-17)8-21(3)12-5-4-6-13(12)22/h7,9,12-13,22H,4-6,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyCQVXSBIHXXTHME-CHWSQXEVSA-N
XLogP3.57
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol 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

2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166556863
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
N-[(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-N-methylcyclopentanamine
CID 166557594
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167274613
trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
CID 102734364
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-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol (CID 167274608) is trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol is CC(C)c1nc2cc(CN(C)[C@@H]3CCC[C@H]3O)c(F)c(F)c2o1.
What is the InChIKey of trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol?
The InChIKey is CQVXSBIHXXTHME-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-9(2)17-20-11-7-10(14(18)15(19)16(11)23-17)8-21(3)12-5-4-6-13(12)22/h7,9,12-13,22H,4-6,8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol has a molecular weight of 324.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(6,7-difluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl-methylamino]cyclopentan-1-ol is sourced from PubChem (CID 167274608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).