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

C17H22N2O2 — CID 50808735

IUPAC4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCCCc1cc(C2CCCN2Cc2ccc(O)cc2)no1
InChIInChI=1S/C17H22N2O2/c1-2-4-15-11-16(18-21-15)17-5-3-10-19(17)12-13-6-8-14(20)9-7-13/h6-9,11,17,20H,2-5,10,12H2,1H3
InChIKeyOXVNXBDDDLNHDD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.67
Rot. Bonds5

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

4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 50808735) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
PubChem CID50808735
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCCCc1cc(C2CCCN2Cc2ccc(O)cc2)no1
InChIInChI=1S/C17H22N2O2/c1-2-4-15-11-16(18-21-15)17-5-3-10-19(17)12-13-6-8-14(20)9-7-13/h6-9,11,17,20H,2-5,10,12H2,1H3
InChIKeyOXVNXBDDDLNHDD-UHFFFAOYSA-N
XLogP3.67
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol (CID 50808735) is 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol is CCCc1cc(C2CCCN2Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is OXVNXBDDDLNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-4-15-11-16(18-21-15)17-5-3-10-19(17)12-13-6-8-14(20)9-7-13/h6-9,11,17,20H,2-5,10,12H2,1H3.
What are the key properties of 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol?
4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 286.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 50808735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).