2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

C21H22N2O3 — CID 77226019

IUPAC2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESc1ccc(COc2ccccc2OC(c2ncco2)C2CCNC2)cc1
InChIInChI=1S/C21H22N2O3/c1-2-6-16(7-3-1)15-25-18-8-4-5-9-19(18)26-20(17-10-11-22-14-17)21-23-12-13-24-21/h1-9,12-13,17,20,22H,10-11,14-15H2
InChIKeyZUTGULTXRFCDGH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.98
Rot. Bonds7

About 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (PubChem CID 77226019) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
PubChem CID77226019
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESc1ccc(COc2ccccc2OC(c2ncco2)C2CCNC2)cc1
InChIInChI=1S/C21H22N2O3/c1-2-6-16(7-3-1)15-25-18-8-4-5-9-19(18)26-20(17-10-11-22-14-17)21-23-12-13-24-21/h1-9,12-13,17,20,22H,10-11,14-15H2
InChIKeyZUTGULTXRFCDGH-UHFFFAOYSA-N
XLogP3.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752960
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752243
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752169
2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
CID 68542656
(2S)-2-[(S)-(2-phenylmethoxyphenoxy)-pyridin-2-ylmethyl]morpholine
CID 59166872
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
2-[(S)-phenyl-(2-phenylmethoxyphenoxy)methyl]morpholine
CID 68545339
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The IUPAC name of 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (CID 77226019) is 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is c1ccc(COc2ccccc2OC(c2ncco2)C2CCNC2)cc1.
What is the InChIKey of 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The InChIKey is ZUTGULTXRFCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-6-16(7-3-1)15-25-18-8-4-5-9-19(18)26-20(17-10-11-22-14-17)21-23-12-13-24-21/h1-9,12-13,17,20,22H,10-11,14-15H2.
What are the key properties of 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole has a molecular weight of 350.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is sourced from PubChem (CID 77226019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).