cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol

C23H32N2O2 — CID 143736568

IUPACcyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCCC1CCN(Cc2cnc(C(O)(c3ccccc3)C3CCCCC3)o2)C1
InChIInChI=1S/C23H32N2O2/c1-2-18-13-14-25(16-18)17-21-15-24-22(27-21)23(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,15,18,20,26H,2,4,7-8,11-14,16-17H2,1H3
InChIKeyKWFPMHWARVPPPL-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.72
Rot. Bonds6

About cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol

cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol (PubChem CID 143736568) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
PubChem CID143736568
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Namecyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCCC1CCN(Cc2cnc(C(O)(c3ccccc3)C3CCCCC3)o2)C1
InChIInChI=1S/C23H32N2O2/c1-2-18-13-14-25(16-18)17-21-15-24-22(27-21)23(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,15,18,20,26H,2,4,7-8,11-14,16-17H2,1H3
InChIKeyKWFPMHWARVPPPL-UHFFFAOYSA-N
XLogP4.72
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The IUPAC name of cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol (CID 143736568) is cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol.
What is the SMILES notation for cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The canonical SMILES for cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol is CCC1CCN(Cc2cnc(C(O)(c3ccccc3)C3CCCCC3)o2)C1.
What is the InChIKey of cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The InChIKey is KWFPMHWARVPPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-2-18-13-14-25(16-18)17-21-15-24-22(27-21)23(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,15,18,20,26H,2,4,7-8,11-14,16-17H2,1H3.
What are the key properties of cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol?
cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol has a molecular weight of 368.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol is sourced from PubChem (CID 143736568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).