4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol

C17H22N2O2 — CID 50808712

IUPAC4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCC(C)c1cc(C2CCCN2Cc2ccc(O)cc2)no1
InChIInChI=1S/C17H22N2O2/c1-12(2)17-10-15(18-21-17)16-4-3-9-19(16)11-13-5-7-14(20)8-6-13/h5-8,10,12,16,20H,3-4,9,11H2,1-2H3
InChIKeyQVGRIZICSODTRH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.84
Rot. Bonds4

About 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol

4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 50808712) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
PubChem CID50808712
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCC(C)c1cc(C2CCCN2Cc2ccc(O)cc2)no1
InChIInChI=1S/C17H22N2O2/c1-12(2)17-10-15(18-21-17)16-4-3-9-19(16)11-13-5-7-14(20)8-6-13/h5-8,10,12,16,20H,3-4,9,11H2,1-2H3
InChIKeyQVGRIZICSODTRH-UHFFFAOYSA-N
XLogP3.84
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol (CID 50808712) is 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol is CC(C)c1cc(C2CCCN2Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is QVGRIZICSODTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)17-10-15(18-21-17)16-4-3-9-19(16)11-13-5-7-14(20)8-6-13/h5-8,10,12,16,20H,3-4,9,11H2,1-2H3.
What are the key properties of 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 286.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 50808712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).