(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine

C17H21F3N2O2 — CID 166556957

IUPAC(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
SMILESCO[C@@H]1CCCC1N(C)Cc1cc(C(F)(F)F)c2oc(C)nc2c1
InChIInChI=1S/C17H21F3N2O2/c1-10-21-13-8-11(7-12(16(13)24-10)17(18,19)20)9-22(2)14-5-4-6-15(14)23-3/h7-8,14-15H,4-6,9H2,1-3H3/t14?,15-/m1/s1
InChIKeyOYXUOMFRGWUFKJ-YSSOQSIOSA-N
MW342.36 g/mol
LogP4.15
Rot. Bonds4

About (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine

(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 166556957) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID166556957
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
SMILESCO[C@@H]1CCCC1N(C)Cc1cc(C(F)(F)F)c2oc(C)nc2c1
InChIInChI=1S/C17H21F3N2O2/c1-10-21-13-8-11(7-12(16(13)24-10)17(18,19)20)9-22(2)14-5-4-6-15(14)23-3/h7-8,14-15H,4-6,9H2,1-3H3/t14?,15-/m1/s1
InChIKeyOYXUOMFRGWUFKJ-YSSOQSIOSA-N
XLogP4.15
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine (CID 166556957) is (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine is CO[C@@H]1CCCC1N(C)Cc1cc(C(F)(F)F)c2oc(C)nc2c1.
What is the InChIKey of (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is OYXUOMFRGWUFKJ-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-10-21-13-8-11(7-12(16(13)24-10)17(18,19)20)9-22(2)14-5-4-6-15(14)23-3/h7-8,14-15H,4-6,9H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 342.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 166556957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).