3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol

C18H24N2O2 — CID 166615099

IUPAC3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol
SMILESCC(C)c1cc(CN2CCC(Cc3cccc(O)c3)C2)no1
InChIInChI=1S/C18H24N2O2/c1-13(2)18-10-16(19-22-18)12-20-7-6-15(11-20)8-14-4-3-5-17(21)9-14/h3-5,9-10,13,15,21H,6-8,11-12H2,1-2H3
InChIKeyUCPPOWKHRLRDAG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.57
Rot. Bonds5

About 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol

3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol (PubChem CID 166615099) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol
PubChem CID166615099
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol
SMILESCC(C)c1cc(CN2CCC(Cc3cccc(O)c3)C2)no1
InChIInChI=1S/C18H24N2O2/c1-13(2)18-10-16(19-22-18)12-20-7-6-15(11-20)8-14-4-3-5-17(21)9-14/h3-5,9-10,13,15,21H,6-8,11-12H2,1-2H3
InChIKeyUCPPOWKHRLRDAG-UHFFFAOYSA-N
XLogP3.57
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The IUPAC name of 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol (CID 166615099) is 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The canonical SMILES for 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol is CC(C)c1cc(CN2CCC(Cc3cccc(O)c3)C2)no1.
What is the InChIKey of 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The InChIKey is UCPPOWKHRLRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)18-10-16(19-22-18)12-20-7-6-15(11-20)8-14-4-3-5-17(21)9-14/h3-5,9-10,13,15,21H,6-8,11-12H2,1-2H3.
What are the key properties of 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol is sourced from PubChem (CID 166615099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).