2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol

C21H23NO3 — CID 70122051

IUPAC2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
SMILESOCC[C@H]1CC[C@@H](OCc2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C21H23NO3/c23-12-11-15-7-10-18(13-15)24-14-16-5-8-17(9-6-16)21-22-19-3-1-2-4-20(19)25-21/h1-6,8-9,15,18,23H,7,10-14H2/t15-,18-/m1/s1
InChIKeyCWFJJEIXHXVFLX-CRAIPNDOSA-N
MW337.42 g/mol
LogP4.56
Rot. Bonds6

About 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol

2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol (PubChem CID 70122051) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
PubChem CID70122051
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
SMILESOCC[C@H]1CC[C@@H](OCc2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C21H23NO3/c23-12-11-15-7-10-18(13-15)24-14-16-5-8-17(9-6-16)21-22-19-3-1-2-4-20(19)25-21/h1-6,8-9,15,18,23H,7,10-14H2/t15-,18-/m1/s1
InChIKeyCWFJJEIXHXVFLX-CRAIPNDOSA-N
XLogP4.56
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol?
The IUPAC name of 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol (CID 70122051) is 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol?
The canonical SMILES for 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol is OCC[C@H]1CC[C@@H](OCc2ccc(-c3nc4ccccc4o3)cc2)C1.
What is the InChIKey of 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol?
The InChIKey is CWFJJEIXHXVFLX-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H23NO3/c23-12-11-15-7-10-18(13-15)24-14-16-5-8-17(9-6-16)21-22-19-3-1-2-4-20(19)25-21/h1-6,8-9,15,18,23H,7,10-14H2/t15-,18-/m1/s1.
What are the key properties of 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol?
2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol has a molecular weight of 337.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol is sourced from PubChem (CID 70122051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).