5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride

C20H21ClN2O3 — CID 141172529

IUPAC5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
SMILESCl.c1ncc(-c2ccc(Oc3ccc(OC[C@H]4CCCN4)cc3)cc2)o1
InChIInChI=1S/C20H20N2O3.ClH/c1-2-16(22-11-1)13-23-17-7-9-19(10-8-17)25-18-5-3-15(4-6-18)20-12-21-14-24-20;/h3-10,12,14,16,22H,1-2,11,13H2;1H/t16-;/m1./s1
InChIKeyHVQSTHIDSAMPIX-PKLMIRHRSA-N
MW372.85 g/mol
LogP4.69
Rot. Bonds6

About 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride

5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride (PubChem CID 141172529) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
PubChem CID141172529
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
SMILESCl.c1ncc(-c2ccc(Oc3ccc(OC[C@H]4CCCN4)cc3)cc2)o1
InChIInChI=1S/C20H20N2O3.ClH/c1-2-16(22-11-1)13-23-17-7-9-19(10-8-17)25-18-5-3-15(4-6-18)20-12-21-14-24-20;/h3-10,12,14,16,22H,1-2,11,13H2;1H/t16-;/m1./s1
InChIKeyHVQSTHIDSAMPIX-PKLMIRHRSA-N
XLogP4.69
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride (CID 141172529) is 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride is Cl.c1ncc(-c2ccc(Oc3ccc(OC[C@H]4CCCN4)cc3)cc2)o1.
What is the InChIKey of 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride?
The InChIKey is HVQSTHIDSAMPIX-PKLMIRHRSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c1-2-16(22-11-1)13-23-17-7-9-19(10-8-17)25-18-5-3-15(4-6-18)20-12-21-14-24-20;/h3-10,12,14,16,22H,1-2,11,13H2;1H/t16-;/m1./s1.
What are the key properties of 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride?
5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 141172529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).