5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole

C15H18N2O3 — CID 175141401

IUPAC5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole
SMILESc1ccc(OCc2cc(OCC3CCNC3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-4-13(5-3-1)18-11-14-8-15(17-20-14)19-10-12-6-7-16-9-12/h1-5,8,12,16H,6-7,9-11H2
InChIKeyFBFTVHVQRRVCPG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.24
Rot. Bonds6

About 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole

5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole (PubChem CID 175141401) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole
PubChem CID175141401
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole
SMILESc1ccc(OCc2cc(OCC3CCNC3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-4-13(5-3-1)18-11-14-8-15(17-20-14)19-10-12-6-7-16-9-12/h1-5,8,12,16H,6-7,9-11H2
InChIKeyFBFTVHVQRRVCPG-UHFFFAOYSA-N
XLogP2.24
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
CID 62371586
N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 155550042
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225
cyclopentyl-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]azanium chloride
CID 172719983
5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
CID 155523809
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796842
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole?
The IUPAC name of 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole (CID 175141401) is 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole?
The canonical SMILES for 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole is c1ccc(OCc2cc(OCC3CCNC3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole?
The InChIKey is FBFTVHVQRRVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-4-13(5-3-1)18-11-14-8-15(17-20-14)19-10-12-6-7-16-9-12/h1-5,8,12,16H,6-7,9-11H2.
What are the key properties of 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole?
5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole has a molecular weight of 274.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole is sourced from PubChem (CID 175141401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).